3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 103550750

IUPAC3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-10-3-2-7-15(8-6-10)13(16)11-4-5-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWGZMEVOKUMETQZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid

3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550750) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550750
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-10-3-2-7-15(8-6-10)13(16)11-4-5-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWGZMEVOKUMETQZ-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103550750) is 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CCCN(C(=O)C2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is WGZMEVOKUMETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-3-2-7-15(8-6-10)13(16)11-4-5-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).