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

C13H18N2O4 — CID 62476287

IUPAC4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
SMILESCOCCC(N)C(=O)Nc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O4/c1-8-7-9(3-4-10(8)13(17)18)15-12(16)11(14)5-6-19-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYGWAOYWNLDLILB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.00
Rot. Bonds6

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

4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid (PubChem CID 62476287) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
PubChem CID62476287
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid
SMILESCOCCC(N)C(=O)Nc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C13H18N2O4/c1-8-7-9(3-4-10(8)13(17)18)15-12(16)11(14)5-6-19-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYGWAOYWNLDLILB-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104908297
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
5-[(2-amino-4-methoxybutanoyl)amino]benzene-1,3-dicarboxylic acid
CID 62475221
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
CID 115411605
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid (CID 62476287) is 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid is COCCC(N)C(=O)Nc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid?
The InChIKey is YGWAOYWNLDLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-7-9(3-4-10(8)13(17)18)15-12(16)11(14)5-6-19-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid?
4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methoxybutanoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62476287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).