4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 107400206

IUPAC4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-17(10-11-4-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyVUEJBBIKBUAKPO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107400206) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID107400206
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-17(10-11-4-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyVUEJBBIKBUAKPO-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]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

4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
2-[4-(Dimethylcarbamoylamino)cyclohexyl]acetic acid
CID 118034860
4-(2-Fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 312741
Methyl 4-[(2-fluoropyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylate
CID 17859087
methyl 4-[[(2S)-2-fluoropyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 67406508
methyl 4-[[(3S)-3-fluoropyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 67406509
4-[(2-Fluoropyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 141053657
cis-Ethoxycarbonylcyclohexylurea
CID 47586620
4-(3,3,3-Trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175145

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 107400206) is 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCN(CC1CCC1)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is VUEJBBIKBUAKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-17(10-11-4-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107400206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).