4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

C12H19NO3 — CID 63784706

IUPAC4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CC1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-7-6-10(7)13-11(14)8-2-4-9(5-3-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyQPBQFMLELSPITI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds3

About 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784706) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784706
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CC1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO3/c1-7-6-10(7)13-11(14)8-2-4-9(5-3-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyQPBQFMLELSPITI-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551068
4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673884
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114178456

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63784706) is 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is CC1CC1NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QPBQFMLELSPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-6-10(7)13-11(14)8-2-4-9(5-3-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).