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

C10H12N2O4 — CID 107207731

IUPAC2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(N)ccc1C(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O4/c1-16-8-4-6(11)2-3-7(8)10(15)12-5-9(13)14/h2-4H,5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKCLOUIIUFCCQSL-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.09
Rot. Bonds4

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

2-[(4-amino-2-methoxybenzoyl)amino]acetic acid (PubChem CID 107207731) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
PubChem CID107207731
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(N)ccc1C(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O4/c1-16-8-4-6(11)2-3-7(8)10(15)12-5-9(13)14/h2-4H,5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKCLOUIIUFCCQSL-UHFFFAOYSA-N
XLogP0.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.09
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-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
(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
2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107207923
3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 107207865
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid (CID 107207731) is 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid is COc1cc(N)ccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid?
The InChIKey is KCLOUIIUFCCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-8-4-6(11)2-3-7(8)10(15)12-5-9(13)14/h2-4H,5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid?
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid has a molecular weight of 224.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107207731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).