1626482-00-5 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: 1626482-00-5, (2s,3s)-ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate, Schembl18053180, Schembl19320354, Zinc261038691, Cs-0184602
Molecular Formula
C11H19NO2
Molecular Weight
197.27  g/mol
InChI Key
CFRDVZHAVFJIFL-QLEHZGMVSA-N

1626482-00-5
1 2D Structure

1626482-00-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate
2.1.2 InChI
InChI=1S/C11H19NO2/c1-2-14-11(13)9-7-3-5-8(6-4-7)10(9)12/h7-10H,2-6,12H2,1H3/t7?,8?,9-,10-/m0/s1
2.1.3 InChI Key
CFRDVZHAVFJIFL-QLEHZGMVSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1C2CCC(C1N)CC2
2.1.5 Isomeric SMILES
CCOC(=O)[C@@H]1[C@H](C2CCC1CC2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1626482-00-5

2. (2s,3s)-ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate

3. Schembl18053180

4. Schembl19320354

5. Zinc261038691

6. Cs-0184602

7. P16201

8. (2s,3s)-ethyl3-aminobicyclo[2.2.2]octane-2-carboxylate

2.3 Create Date
2016-12-08
3 Chemical and Physical Properties
Molecular Weight 197.27 g/mol
Molecular Formula C11H19NO2
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass197.141578849 g/mol
Monoisotopic Mass197.141578849 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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