2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid

C16H15N3O4 — CID 10686637

IUPAC2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
SMILESNc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C16H15N3O4/c17-12-7-3-1-5-10(12)16(23)19-13-8-4-2-6-11(13)15(22)18-9-14(20)21/h1-8H,9,17H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyGJSZVBSXKWDCLO-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.34
Rot. Bonds5

About 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid

2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 10686637) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID10686637
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
SMILESNc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C16H15N3O4/c17-12-7-3-1-5-10(12)16(23)19-13-8-4-2-6-11(13)15(22)18-9-14(20)21/h1-8H,9,17H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyGJSZVBSXKWDCLO-UHFFFAOYSA-N
XLogP1.34
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
CID 134594660
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
CID 5247000
2-amino-N-(2H-benzotriazol-4-yl)benzamide
CID 110474353
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
CID 6395404
CID 6395404
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid (CID 10686637) is 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid is Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is GJSZVBSXKWDCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c17-12-7-3-1-5-10(12)16(23)19-13-8-4-2-6-11(13)15(22)18-9-14(20)21/h1-8H,9,17H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid?
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 10686637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).