methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate

C11H14N2O3 — CID 11984151

IUPACmethyl (2S)-2-[(2-aminobenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-10(14)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyXPOUMUDJXBEZHG-ZETCQYMHSA-N
MW222.24 g/mol
LogP0.56
Rot. Bonds3

About methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate

methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate (PubChem CID 11984151) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-aminobenzoyl)amino]propanoate
PubChem CID11984151
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl (2S)-2-[(2-aminobenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-10(14)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyXPOUMUDJXBEZHG-ZETCQYMHSA-N
XLogP0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate 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 methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate (CID 11984151) is methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccccc1N.
What is the InChIKey of methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate?
The InChIKey is XPOUMUDJXBEZHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-10(14)8-5-3-4-6-9(8)12/h3-7H,12H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate?
methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate is sourced from PubChem (CID 11984151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).