1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid

C14H23NO3 — CID 120530542

IUPAC1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCC1CC(C(=O)NC2(C(=O)O)CC2)CC(C)(C)C1
InChIInChI=1S/C14H23NO3/c1-9-6-10(8-13(2,3)7-9)11(16)15-14(4-5-14)12(17)18/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWBWQICDCLMYQJK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds3

About 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid

1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 120530542) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID120530542
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCC1CC(C(=O)NC2(C(=O)O)CC2)CC(C)(C)C1
InChIInChI=1S/C14H23NO3/c1-9-6-10(8-13(2,3)7-9)11(16)15-14(4-5-14)12(17)18/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyWBWQICDCLMYQJK-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532834
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
3-methyl-4-[(3,3,5-trimethylcyclohexanecarbonyl)amino]butanoic acid
CID 120537138
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 126819028
1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452828
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106703650
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122108091
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid (CID 120530542) is 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid is CC1CC(C(=O)NC2(C(=O)O)CC2)CC(C)(C)C1.
What is the InChIKey of 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is WBWQICDCLMYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-6-10(8-13(2,3)7-9)11(16)15-14(4-5-14)12(17)18/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).