2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C12H21NO3 — CID 3133162

IUPAC2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNJDLTLNVUIGTNW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 3133162) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID3133162
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNJDLTLNVUIGTNW-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106284398
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-(2-methylpropylcarbamoyl)cyclohexane-1-sulfinic acid
CID 175279677
2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976511

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 3133162) is 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid is CC(C)CNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is NJDLTLNVUIGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(15)16/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).