4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid

C13H18N2O4 — CID 107207914

IUPAC4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(13(17)18)5-6-15-12(16)10-4-3-9(14)7-11(10)19-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBDXJMYHACMEMLS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.12
Rot. Bonds6

About 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid

4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 107207914) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID107207914
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(13(17)18)5-6-15-12(16)10-4-3-9(14)7-11(10)19-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBDXJMYHACMEMLS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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

(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107207825
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 107208004
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
CID 107207977
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid (CID 107207914) is 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid is COc1cc(N)ccc1C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is BDXJMYHACMEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(13(17)18)5-6-15-12(16)10-4-3-9(14)7-11(10)19-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid?
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 107207914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).