(2S)-5-amino-2-benzamido-5-oxopentanoic acid

C12H14N2O4 — CID 10868697

IUPAC(2S)-5-amino-2-benzamido-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O4/c13-10(15)7-6-9(12(17)18)14-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyWSDWRFQYFHCSDA-VIFPVBQESA-N
MW250.25 g/mol
LogP0.14
Rot. Bonds6

About (2S)-5-amino-2-benzamido-5-oxopentanoic acid

(2S)-5-amino-2-benzamido-5-oxopentanoic acid (PubChem CID 10868697) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2S)-5-amino-2-benzamido-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-benzamido-5-oxopentanoic acid
PubChem CID10868697
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2S)-5-amino-2-benzamido-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H14N2O4/c13-10(15)7-6-9(12(17)18)14-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyWSDWRFQYFHCSDA-VIFPVBQESA-N
XLogP0.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-benzamido-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

Hippuric Acid
CID 464
Proglumide
CID 4922
Betamipron
CID 71651
Phenylacetylglutamine
CID 92258
Danegaptide
CID 16656685
N-Benzoylaspartic acid
CID 95664
N-benzoylglycinate
CID 4402710
N-(2-Iodobenzoyl)glycine
CID 8614
2-Methylhippuric Acid
CID 91637
gamma-L-Glutamyl-L-phenylalanine
CID 111299
Butanoic acid, 4-(benzoylamino)-
CID 37118
Hippuric acid, monosodium salt
CID 516953

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-benzamido-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-benzamido-5-oxopentanoic acid (CID 10868697) is (2S)-5-amino-2-benzamido-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-benzamido-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-benzamido-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-benzamido-5-oxopentanoic acid?
The InChIKey is WSDWRFQYFHCSDA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O4/c13-10(15)7-6-9(12(17)18)14-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-benzamido-5-oxopentanoic acid?
(2S)-5-amino-2-benzamido-5-oxopentanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-benzamido-5-oxopentanoic acid is sourced from PubChem (CID 10868697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).