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

C11H14N2O3 — CID 54197392

IUPAC(2S)-5-amino-2-anilino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10(14)7-6-9(11(15)16)13-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H2,12,14)(H,15,16)/t9-/m0/s1
InChIKeyPMUMUYYQHZMXNQ-VIFPVBQESA-N
MW222.24 g/mol
LogP0.82
Rot. Bonds6

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

(2S)-5-amino-2-anilino-5-oxopentanoic acid (PubChem CID 54197392) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-5-amino-2-anilino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-anilino-5-oxopentanoic acid
PubChem CID54197392
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-5-amino-2-anilino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10(14)7-6-9(11(15)16)13-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H2,12,14)(H,15,16)/t9-/m0/s1
InChIKeyPMUMUYYQHZMXNQ-VIFPVBQESA-N
XLogP0.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-anilino-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-(4-aminoanilino)-5-oxopentanoic acid
CID 70627303
(2S)-2-anilinopentanoic acid
CID 22847649
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250
CID 68604008
CID 68604008
2-anilino-3-sulfanylpropanoic acid
CID 87519071
(2S)-2-anilino-5-hydroxy-4-oxopentanoic acid
CID 71062761
(2S)-5-amino-2-[4-(3-ethoxy-3-oxoprop-1-enyl)anilino]-5-oxopentanoic acid
CID 54418834
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
(2R)-2-anilino-3-sulfanylpropanoic acid;hydrobromide
CID 71352258
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
2-anilino-4-oxobutanoic acid
CID 154361840

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-anilino-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-anilino-5-oxopentanoic acid (CID 54197392) is (2S)-5-amino-2-anilino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-anilino-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-anilino-5-oxopentanoic acid is NC(=O)CC[C@H](Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-anilino-5-oxopentanoic acid?
The InChIKey is PMUMUYYQHZMXNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(14)7-6-9(11(15)16)13-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H2,12,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-anilino-5-oxopentanoic acid?
(2S)-5-amino-2-anilino-5-oxopentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.82, 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-anilino-5-oxopentanoic acid is sourced from PubChem (CID 54197392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).