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Chemistry

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Also known as: Rp-001, Rp001, Schembl1878411, Chembl3960697, Gtpl10309, Ex-a3540
Molecular Formula
C24H24N4O4
Molecular Weight
432.5  g/mol
InChI Key
WNDDDFYFTSGSEC-UHFFFAOYSA-N

RP-001
1 2D Structure

RP-001

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid
2.1.2 InChI
InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)
2.1.3 InChI Key
WNDDDFYFTSGSEC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCC(=O)O)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Rp-001

2. Rp001

3. Schembl1878411

4. Chembl3960697

5. Gtpl10309

6. Ex-a3540

7. Rp 001

8. Ncgc00371010-02

9. Hy-101939

10. Cs-0022196

11. 3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1h-inden-1-yl]amino]propanoic Acid

2.3 Create Date
2011-03-11
3 Chemical and Physical Properties
Molecular Weight 432.5 g/mol
Molecular Formula C24H24N4O4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area121
Heavy Atom Count32
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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