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

C11H14N2O4 — CID 96696434

IUPAC(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@H](C)C(=O)O)c(N)c1
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(17-2)5-9(8)12/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeySENXUQCCRPXFEF-ZCFIWIBFSA-N
MW238.24 g/mol
LogP0.48
Rot. Bonds4

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

(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid (PubChem CID 96696434) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
PubChem CID96696434
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@H](C)C(=O)O)c(N)c1
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(17-2)5-9(8)12/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeySENXUQCCRPXFEF-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'}

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Related Compounds

2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
CID 115412958
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-amino-N-(dicyclopropylmethyl)-4-methoxybenzamide
CID 115412967
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
2-[(2-amino-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 82546323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid (CID 96696434) is (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid is COc1ccc(C(=O)N[C@H](C)C(=O)O)c(N)c1.
What is the InChIKey of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid?
The InChIKey is SENXUQCCRPXFEF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(11(15)16)13-10(14)8-4-3-7(17-2)5-9(8)12/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid?
(2R)-2-[(2-amino-4-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-[(2-amino-4-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 96696434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).