(2S)-2-[(2-aminobenzoyl)amino]propanoic acid

C10H12N2O3 — CID 25068369

IUPAC(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyURJSQVJWZNGFOL-LURJTMIESA-N
MW208.22 g/mol
LogP0.47
Rot. Bonds3

About (2S)-2-[(2-aminobenzoyl)amino]propanoic acid

(2S)-2-[(2-aminobenzoyl)amino]propanoic acid (PubChem CID 25068369) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-[(2-aminobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
PubChem CID25068369
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyURJSQVJWZNGFOL-LURJTMIESA-N
XLogP0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminobenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-aminobenzoyl)amino]propanoic acid (CID 25068369) is (2S)-2-[(2-aminobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-aminobenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-aminobenzoyl)amino]propanoic acid is C[C@H](NC(=O)c1ccccc1N)C(=O)O.
What is the InChIKey of (2S)-2-[(2-aminobenzoyl)amino]propanoic acid?
The InChIKey is URJSQVJWZNGFOL-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,11H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-aminobenzoyl)amino]propanoic acid?
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminobenzoyl)amino]propanoic acid is sourced from PubChem (CID 25068369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).