3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 63784008

IUPAC3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CC1CC1)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-10(2)16(9-11-6-7-11)14(17)12-4-3-5-13(8-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyIJVVZCSLIFBDGO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds5

About 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784008) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784008
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CC1CC1)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-10(2)16(9-11-6-7-11)14(17)12-4-3-5-13(8-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyIJVVZCSLIFBDGO-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]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

N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 102779238
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784695
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 55000610
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
CID 79720856
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63784008) is 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)N(CC1CC1)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IJVVZCSLIFBDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)16(9-11-6-7-11)14(17)12-4-3-5-13(8-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).