2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid

C12H22N2O3 — CID 114991643

IUPAC2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(2,11(16)17)14-9-6-4-8(5-7-9)10(13)15/h8-9,14H,3-7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeySSORRDWFVBYUCR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

About 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid

2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid (PubChem CID 114991643) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
PubChem CID114991643
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-12(2,11(16)17)14-9-6-4-8(5-7-9)10(13)15/h8-9,14H,3-7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeySSORRDWFVBYUCR-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic 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-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 82238992
cyclopropanecarboxamide;propanamide
CID 174752815
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-[3-(cyclopropylamino)propylamino]-2-methylbutanoic acid
CID 114988166
4-propanoylcyclohexane-1-carboxamide
CID 118218321
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
CID 112738058
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid (CID 114991643) is 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid is CCC(C)(NC1CCC(C(N)=O)CC1)C(=O)O.
What is the InChIKey of 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid?
The InChIKey is SSORRDWFVBYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-12(2,11(16)17)14-9-6-4-8(5-7-9)10(13)15/h8-9,14H,3-7H2,1-2H3,(H2,13,15)(H,16,17).
What are the key properties of 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid?
2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114991643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).