(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid

C11H14N2O4 — CID 107207808

IUPAC(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyCOHJJPVXFIDHPG-ZCFIWIBFSA-N
MW238.24 g/mol
LogP0.48
Rot. Bonds4

About (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid

(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid (PubChem CID 107207808) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
PubChem CID107207808
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyCOHJJPVXFIDHPG-ZCFIWIBFSA-N
XLogP0.48
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4-amino-2-methoxybenzoyl)amino]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

Related Compounds

2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
CID 107207977
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 107208004
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
CID 119942883
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid (CID 107207808) is (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid is COc1cc(N)ccc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is COHJJPVXFIDHPG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(12)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid?
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 107207808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).