2-[(4-aminobenzoyl)amino]acetate

C9H9N2O3- — CID 3249988

IUPAC2-[(4-aminobenzoyl)amino]acetate
SMILESNc1ccc(C(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1
InChIKeyHSMNQINEKMPTIC-UHFFFAOYSA-M
MW193.18 g/mol
LogP-1.25
Rot. Bonds3

About 2-[(4-aminobenzoyl)amino]acetate

2-[(4-aminobenzoyl)amino]acetate (PubChem CID 3249988) has the molecular formula C9H9N2O3- and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]acetate
PubChem CID3249988
Molecular FormulaC9H9N2O3-
Molecular Weight193.18 g/mol
Exact Mass193.06
IUPAC Name2-[(4-aminobenzoyl)amino]acetate
SMILESNc1ccc(C(=O)NCC(=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1
InChIKeyHSMNQINEKMPTIC-UHFFFAOYSA-M
XLogP-1.25
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]acetate?
The IUPAC name of 2-[(4-aminobenzoyl)amino]acetate (CID 3249988) is 2-[(4-aminobenzoyl)amino]acetate.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]acetate?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]acetate is Nc1ccc(C(=O)NCC(=O)[O-])cc1.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]acetate?
The InChIKey is HSMNQINEKMPTIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1.
What are the key properties of 2-[(4-aminobenzoyl)amino]acetate?
2-[(4-aminobenzoyl)amino]acetate has a molecular weight of 193.18 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)amino]acetate is sourced from PubChem (CID 3249988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).