4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H23NO3 — CID 114096792

IUPAC4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2(C3CC3)CC2)CC1
InChIInChI=1S/C15H23NO3/c17-13(10-1-3-11(4-2-10)14(18)19)16-9-15(7-8-15)12-5-6-12/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyLJWYNWDKULWABM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds5

About 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114096792) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114096792
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2(C3CC3)CC2)CC1
InChIInChI=1S/C15H23NO3/c17-13(10-1-3-11(4-2-10)14(18)19)16-9-15(7-8-15)12-5-6-12/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyLJWYNWDKULWABM-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]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-[(1-cyclopropylcyclopropyl)methyl]piperidine-4-carboxamide
CID 103950884
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 104872742
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
4-[(1-carbamoylcyclopentyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673700
4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 174774868
4-[(3-methyloxolan-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673614
1-[(1-cyclopropylcyclobutyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120699068
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114096792) is 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCC2(C3CC3)CC2)CC1.
What is the InChIKey of 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LJWYNWDKULWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-13(10-1-3-11(4-2-10)14(18)19)16-9-15(7-8-15)12-5-6-12/h10-12H,1-9H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114096792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).