3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid

C15H22N2O4 — CID 107207865

IUPAC3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,13(19)20)15(3,4)17-12(18)10-7-6-9(16)8-11(10)21-5/h6-8H,16H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyHRDDVPVGVUITAX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.90
Rot. Bonds5

About 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid

3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 107207865) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID107207865
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,13(19)20)15(3,4)17-12(18)10-7-6-9(16)8-11(10)21-5/h6-8H,16H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyHRDDVPVGVUITAX-UHFFFAOYSA-N
XLogP1.90
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.90
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

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
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-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
(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]-2-methylbutanoic acid
CID 107207914
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid (CID 107207865) is 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid is COc1cc(N)ccc1C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is HRDDVPVGVUITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2,13(19)20)15(3,4)17-12(18)10-7-6-9(16)8-11(10)21-5/h6-8H,16H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 107207865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).