(2S)-2-amino-3-(2-nitrophenyl)propanoic acid

C9H10N2O4 — CID 2761811

IUPAC(2S)-2-amino-3-(2-nitrophenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKeySDZGVFSSLGTJAJ-ZETCQYMHSA-N
MW210.19 g/mol
LogP0.55
Rot. Bonds4

About (2S)-2-amino-3-(2-nitrophenyl)propanoic acid

(2S)-2-amino-3-(2-nitrophenyl)propanoic acid (PubChem CID 2761811) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-nitrophenyl)propanoic acid
PubChem CID2761811
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(2S)-2-amino-3-(2-nitrophenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKeySDZGVFSSLGTJAJ-ZETCQYMHSA-N
XLogP0.55
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-(2-nitrophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-nitrophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-nitrophenyl)propanoic acid (CID 2761811) is (2S)-2-amino-3-(2-nitrophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-nitrophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-nitrophenyl)propanoic acid is N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-nitrophenyl)propanoic acid?
The InChIKey is SDZGVFSSLGTJAJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-nitrophenyl)propanoic acid?
(2S)-2-amino-3-(2-nitrophenyl)propanoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-nitrophenyl)propanoic acid is sourced from PubChem (CID 2761811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).