4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid

C12H21N3O4 — CID 61205396

IUPAC4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-10(16)7-9(11(17)18)15-12(19)14-6-5-8-3-1-2-4-8/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyORBHFBFBQVHZTQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.19
Rot. Bonds7

About 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid

4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 61205396) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID61205396
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-10(16)7-9(11(17)18)15-12(19)14-6-5-8-3-1-2-4-8/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyORBHFBFBQVHZTQ-UHFFFAOYSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic 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

(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
(2S)-4-amino-4-oxo-2-[2-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 114131742
(2S)-4-amino-2-(cyclobutylmethylcarbamoylamino)-4-oxobutanoic acid
CID 63714418
(2S)-4-amino-4-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 63716998
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid (CID 61205396) is 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid is NC(=O)CC(NC(=O)NCCC1CCCC1)C(=O)O.
What is the InChIKey of 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is ORBHFBFBQVHZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-10(16)7-9(11(17)18)15-12(19)14-6-5-8-3-1-2-4-8/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid?
4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 61205396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).