1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 114543563

IUPAC1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H27NO3/c1-15(2)9-6-12(10-15)17-13(18)11-16(14(19)20)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAKEVZVCXGLLHSW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 114543563) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID114543563
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H27NO3/c1-15(2)9-6-12(10-15)17-13(18)11-16(14(19)20)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAKEVZVCXGLLHSW-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63363742
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63278195
1-[2-[(3-methoxycyclopentyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114117925
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60940397
1-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 63661531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 114543563) is 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CC1(C)CCC(NC(=O)CC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is AKEVZVCXGLLHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2)9-6-12(10-15)17-13(18)11-16(14(19)20)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114543563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).