4-amino-2,3-dicarbamoylbenzoic acid

C9H9N3O4 — CID 23168446

IUPAC4-amino-2,3-dicarbamoylbenzoic acid
SMILESNC(=O)c1c(N)ccc(C(=O)O)c1C(N)=O
InChIInChI=1S/C9H9N3O4/c10-4-2-1-3(9(15)16)5(7(11)13)6(4)8(12)14/h1-2H,10H2,(H2,11,13)(H2,12,14)(H,15,16)
InChIKeyYUYORAJSEOUIDU-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.84
Rot. Bonds3

About 4-amino-2,3-dicarbamoylbenzoic acid

4-amino-2,3-dicarbamoylbenzoic acid (PubChem CID 23168446) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 4-amino-2,3-dicarbamoylbenzoic acid.

Molecular Properties

Compound Name4-amino-2,3-dicarbamoylbenzoic acid
PubChem CID23168446
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name4-amino-2,3-dicarbamoylbenzoic acid
SMILESNC(=O)c1c(N)ccc(C(=O)O)c1C(N)=O
InChIInChI=1S/C9H9N3O4/c10-4-2-1-3(9(15)16)5(7(11)13)6(4)8(12)14/h1-2H,10H2,(H2,11,13)(H2,12,14)(H,15,16)
InChIKeyYUYORAJSEOUIDU-UHFFFAOYSA-N
XLogP-0.84
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.84
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

benzene-1,2,3,4-tetracarboxamide
CID 54274025
benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173173883
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
3,4-diamino-2-chlorobenzoic acid
CID 154372958
4-amino-3-chloro-2-hydroxybenzoic acid
CID 54442590
dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate
CID 66739034
2-aminobenzoic acid;urea
CID 158027537
2-amino-6-hydroxybenzamide
CID 15089372
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
2-aminonaphthalene-1,8-dicarboxamide
CID 70248855

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dicarbamoylbenzoic acid?
The IUPAC name of 4-amino-2,3-dicarbamoylbenzoic acid (CID 23168446) is 4-amino-2,3-dicarbamoylbenzoic acid.
What is the SMILES notation for 4-amino-2,3-dicarbamoylbenzoic acid?
The canonical SMILES for 4-amino-2,3-dicarbamoylbenzoic acid is NC(=O)c1c(N)ccc(C(=O)O)c1C(N)=O.
What is the InChIKey of 4-amino-2,3-dicarbamoylbenzoic acid?
The InChIKey is YUYORAJSEOUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c10-4-2-1-3(9(15)16)5(7(11)13)6(4)8(12)14/h1-2H,10H2,(H2,11,13)(H2,12,14)(H,15,16).
What are the key properties of 4-amino-2,3-dicarbamoylbenzoic acid?
4-amino-2,3-dicarbamoylbenzoic acid has a molecular weight of 223.19 g/mol, XLogP of -0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dicarbamoylbenzoic acid is sourced from PubChem (CID 23168446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).