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

C13H18N2O4 — CID 103869949

IUPAC(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-11(13(17)18)15-12(16)9-6-5-8(19-2)7-10(9)14/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyXFNZDNOHRGRAKM-LLVKDONJSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds6

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

(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid (PubChem CID 103869949) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
PubChem CID103869949
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-11(13(17)18)15-12(16)9-6-5-8(19-2)7-10(9)14/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyXFNZDNOHRGRAKM-LLVKDONJSA-N
XLogP1.26
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
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-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-[(2-amino-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 82546323
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
(2R)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909181
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid (CID 103869949) is (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(OC)cc1N)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid?
The InChIKey is XFNZDNOHRGRAKM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-11(13(17)18)15-12(16)9-6-5-8(19-2)7-10(9)14/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid?
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.26, 6 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]pentanoic acid is sourced from PubChem (CID 103869949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).