(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid

C14H18N2O5 — CID 61141581

IUPAC(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCCOc1ccc(CC(=O)N[C@@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-21-10-5-3-9(4-6-10)7-13(18)16-11(14(19)20)8-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyYXONNYACHWYOGW-NSHDSACASA-N
MW294.31 g/mol
LogP0.07
Rot. Bonds8

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

(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 61141581) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
PubChem CID61141581
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCCOc1ccc(CC(=O)N[C@@H](CC(N)=O)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-21-10-5-3-9(4-6-10)7-13(18)16-11(14(19)20)8-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyYXONNYACHWYOGW-NSHDSACASA-N
XLogP0.07
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]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

(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884
(2R)-4-amino-2-[(4-ethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825613
(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467461
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
4-amino-2-[3-(4-chlorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 108802876
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307180
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
CID 28778474

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid (CID 61141581) is (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid is CCOc1ccc(CC(=O)N[C@@H](CC(N)=O)C(=O)O)cc1.
What is the InChIKey of (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is YXONNYACHWYOGW-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-21-10-5-3-9(4-6-10)7-13(18)16-11(14(19)20)8-12(15)17/h3-6,11H,2,7-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.07, 8 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-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 61141581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).