2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid

C13H18N2O5 — CID 115411605

IUPAC2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
SMILESCOCCC(N)C(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-19-6-5-10(14)12(16)15-11-7-8(20-2)3-4-9(11)13(17)18/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWMYFBARXDAOPAW-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.70
Rot. Bonds7

About 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid

2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid (PubChem CID 115411605) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
PubChem CID115411605
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
SMILESCOCCC(N)C(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-19-6-5-10(14)12(16)15-11-7-8(20-2)3-4-9(11)13(17)18/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWMYFBARXDAOPAW-UHFFFAOYSA-N
XLogP0.70
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methoxybenzoic acid
CID 104908879
2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methoxybenzoic acid
CID 115411602
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
CID 62476287
4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid
CID 115412206
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid (CID 115411605) is 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid is COCCC(N)C(=O)Nc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid?
The InChIKey is WMYFBARXDAOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-6-5-10(14)12(16)15-11-7-8(20-2)3-4-9(11)13(17)18/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid?
2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 115411605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).