3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid

C12H17NO3 — CID 103551261

IUPAC3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C12H17NO3/c14-11(13-6-2-1-3-7-13)9-4-5-10(8-9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyQGXJTGXKLYDETH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103551261) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103551261
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C12H17NO3/c14-11(13-6-2-1-3-7-13)9-4-5-10(8-9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyQGXJTGXKLYDETH-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 166178290
(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104530546
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
CID 144703197

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103551261) is 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CC=CCC2)C1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QGXJTGXKLYDETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(13-6-2-1-3-7-13)9-4-5-10(8-9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).