4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 122024515

IUPAC4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(C)(C)C1
InChIInChI=1S/C15H26N2O3/c1-15(2)8-12(9-15)17(3)14(20)16-11-6-4-10(5-7-11)13(18)19/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGUHXBJXEXZECDE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds3

About 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024515) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024515
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(C)(C)C1
InChIInChI=1S/C15H26N2O3/c1-15(2)8-12(9-15)17(3)14(20)16-11-6-4-10(5-7-11)13(18)19/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGUHXBJXEXZECDE-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]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-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023782
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030447
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
4-[[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023430

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122024515) is 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCC(C(=O)O)CC1)C1CC(C)(C)C1.
What is the InChIKey of 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GUHXBJXEXZECDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)8-12(9-15)17(3)14(20)16-11-6-4-10(5-7-11)13(18)19/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).