(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid

C13H16N2O5 — CID 30120326

IUPAC(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCCOc1ccccc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-8(10)12(17)15-9(13(18)19)7-11(14)16/h3-6,9H,2,7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyISXMYUNHQNOHMA-VIFPVBQESA-N
MW280.28 g/mol
LogP0.14
Rot. Bonds7

About (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid (PubChem CID 30120326) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
PubChem CID30120326
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
SMILESCCOc1ccccc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-8(10)12(17)15-9(13(18)19)7-11(14)16/h3-6,9H,2,7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyISXMYUNHQNOHMA-VIFPVBQESA-N
XLogP0.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-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

(2S)-2-[(2-ethoxybenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708981
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
(2R)-2-[(2-ethoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 95066275
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
CID 95181274
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 3102731
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid (CID 30120326) is (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid is CCOc1ccccc1C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid?
The InChIKey is ISXMYUNHQNOHMA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-20-10-6-4-3-5-8(10)12(17)15-9(13(18)19)7-11(14)16/h3-6,9H,2,7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 30120326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).