2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C12H19NO4 — CID 106120411

IUPAC2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H19NO4/c14-8-3-1-7(2-4-8)6-13-11(15)9-5-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyRQXQBASNDQBFLI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.37
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106120411) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106120411
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H19NO4/c14-8-3-1-7(2-4-8)6-13-11(15)9-5-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17)
InChIKeyRQXQBASNDQBFLI-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-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-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
CID 18434269
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
6-[(3-hydroxycyclopentyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106120294
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106120430
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106120411) is 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RQXQBASNDQBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-8-3-1-7(2-4-8)6-13-11(15)9-5-10(9)12(16)17/h7-10,14H,1-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106120411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).