(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid

C15H20N2O4 — CID 107830087

IUPAC(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccccc1CCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyZMZRQXRQZIIMNY-GFCCVEGCSA-N
MW292.33 g/mol
LogP0.76
Rot. Bonds8

About (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid (PubChem CID 107830087) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
PubChem CID107830087
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
SMILESCc1ccccc1CCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyZMZRQXRQZIIMNY-GFCCVEGCSA-N
XLogP0.76
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic 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

5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
CID 68604008
CID 68604008
(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986
(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79011047
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-(2-methylphenyl)propanamide
CID 76941661
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218
4-(2-methylphenyl)butanamide
CID 22103596
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid (CID 107830087) is (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid is Cc1ccccc1CCC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is ZMZRQXRQZIIMNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-4-2-3-5-11(10)6-9-14(19)17-12(15(20)21)7-8-13(16)18/h2-5,12H,6-9H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107830087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).