2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid

C10H13N3O6S — CID 114461718

IUPAC2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
SMILESCOC(=O)NS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C10H13N3O6S/c1-19-10(16)12-20(17,18)13(6-9(14)15)8-5-3-2-4-7(8)11/h2-5H,6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLZEZKOZNINNOLZ-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.24
Rot. Bonds5

About 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid

2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid (PubChem CID 114461718) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
PubChem CID114461718
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
SMILESCOC(=O)NS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C10H13N3O6S/c1-19-10(16)12-20(17,18)13(6-9(14)15)8-5-3-2-4-7(8)11/h2-5H,6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyLZEZKOZNINNOLZ-UHFFFAOYSA-N
XLogP-0.24
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
CID 114804778
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
CID 114461695
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
2-(2-amino-N-butylsulfonylanilino)acetic acid
CID 55176952
2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
CID 63118245
2-[2-amino-N-(2-propan-2-yloxyethylsulfonyl)anilino]acetic acid
CID 79592409
2-(2-amino-N-pyrrolidin-1-ylsulfonylanilino)acetic acid
CID 63118246
4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
methyl N-[(3-amino-3-sulfanylidenepropyl)-phenylsulfamoyl]carbamate
CID 114463509
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid (CID 114461718) is 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid is COC(=O)NS(=O)(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid?
The InChIKey is LZEZKOZNINNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c1-19-10(16)12-20(17,18)13(6-9(14)15)8-5-3-2-4-7(8)11/h2-5H,6,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid?
2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid has a molecular weight of 303.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 114461718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).