3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 66031857

IUPAC3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)6-3-8-17(9-7-15)14(20)16-12-5-4-11(10-12)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLLHOINQQUUAHSA-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66031857) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66031857
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)6-3-8-17(9-7-15)14(20)16-12-5-4-11(10-12)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLLHOINQQUUAHSA-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764
3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66031857) is 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1(C)CCCN(C(=O)NC2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LLHOINQQUUAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)6-3-8-17(9-7-15)14(20)16-12-5-4-11(10-12)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).