(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid

C11H17NO3 — CID 167740733

IUPAC(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C11H17NO3/c1-7(13)12-6-5-9(11(14)15)8-3-2-4-10(8)12/h8-10H,2-6H2,1H3,(H,14,15)/t8-,9?,10-/m0/s1
InChIKeyGDCUHGHBRIOZMZ-SMILAEQMSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds1

About (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid

(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 167740733) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
PubChem CID167740733
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C11H17NO3/c1-7(13)12-6-5-9(11(14)15)8-3-2-4-10(8)12/h8-10H,2-6H2,1H3,(H,14,15)/t8-,9?,10-/m0/s1
InChIKeyGDCUHGHBRIOZMZ-SMILAEQMSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
1-(2,3-dimethylquinoxaline-6-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167804237
1-(3,4-dihydro-2H-thiochromene-4-carbonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 139020071
1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 124874523
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid
CID 178194767
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
CID 130138354
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid (CID 167740733) is (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid is CC(=O)N1CCC(C(=O)O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is GDCUHGHBRIOZMZ-SMILAEQMSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(13)12-6-5-9(11(14)15)8-3-2-4-10(8)12/h8-10H,2-6H2,1H3,(H,14,15)/t8-,9?,10-/m0/s1.
What are the key properties of (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid?
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 167740733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).