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

C14H22N2O3 — CID 65319939

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C14H22N2O3/c17-13(18)12-7-3-9-16(12)14(19)15-8-2-5-10-4-1-6-11(10)15/h10-12H,1-9H2,(H,17,18)
InChIKeyKVVPGWLIXBXZEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.92
Rot. Bonds1

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

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65319939) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65319939
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C14H22N2O3/c17-13(18)12-7-3-9-16(12)14(19)15-8-2-5-10-4-1-6-11(10)15/h10-12H,1-9H2,(H,17,18)
InChIKeyKVVPGWLIXBXZEA-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R,4R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000492
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 115560799
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 102727462
1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82750552
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-chloroprop-2-en-1-one
CID 130943720
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 65319939) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)N1CCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KVVPGWLIXBXZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(18)12-7-3-9-16(12)14(19)15-8-2-5-10-4-1-6-11(10)15/h10-12H,1-9H2,(H,17,18).
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65319939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).