CAS 1171080-45-7 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 1171080-45-7, Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid, Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate, Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate ethanedioate, Schembl15309424, Ex-a2293b
Molecular Formula
C22H26N2O7
Molecular Weight
430.5  g/mol
InChI Key
AMOSSTKBTVKFNW-VOMIJIAVSA-N

CAS 1171080-45-7
1 2D Structure

CAS 1171080-45-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
2.1.2 InChI
InChI=1S/C20H24N2O3.C2H2O4/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,18-19,21-22H,11-15H2;(H,3,4)(H,5,6)/t18-,19+;/m1./s1
2.1.3 InChI Key
AMOSSTKBTVKFNW-VOMIJIAVSA-N
2.1.4 Canonical SMILES
C1CC(NCC1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
2.1.5 Isomeric SMILES
C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1171080-45-7

2. Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic Acid

3. Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate Ethanedioate

4. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Ethanedioate

5. Schembl15309424

6. Ex-a2293b

7. Amy19463

8. Cs-m3164

9. Wwb08045

10. Mfcd29472311

11. At10876

12. 2-piperidinecarboxylic Acid, 5-[(phenylmethoxy)amino]-, Phenylmethyl Ester, (2s,5r)-, Ethanedioate (1:1)

13. Ds-19729

14. (2s,5r)-benzyl5-((benzyloxy)amino)piperidine-2-carboxylateoxalate

15. (2s,5r)-benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate Ee

16. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate

2.3 Create Date
2012-12-03
3 Chemical and Physical Properties
Molecular Weight 430.5 g/mol
Molecular Formula C22H26N2O7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass430.17400117 g/mol
Monoisotopic Mass430.17400117 g/mol
Topological Polar Surface Area134 Ų
Heavy Atom Count31
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty