5-(carboxyamino)benzene-1,3-dicarboxylic acid

C9H7NO6 — CID 18974712

IUPAC5-(carboxyamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H7NO6/c11-7(12)4-1-5(8(13)14)3-6(2-4)10-9(15)16/h1-3,10H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyUBJXQLWWHODNIK-UHFFFAOYSA-N
MW225.16 g/mol
LogP1.17
Rot. Bonds3

About 5-(carboxyamino)benzene-1,3-dicarboxylic acid

5-(carboxyamino)benzene-1,3-dicarboxylic acid (PubChem CID 18974712) has the molecular formula C9H7NO6 and a molecular weight of 225.16 g/mol. Its IUPAC name is 5-(carboxyamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(carboxyamino)benzene-1,3-dicarboxylic acid
PubChem CID18974712
Molecular FormulaC9H7NO6
Molecular Weight225.16 g/mol
Exact Mass225.03
IUPAC Name5-(carboxyamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H7NO6/c11-7(12)4-1-5(8(13)14)3-6(2-4)10-9(15)16/h1-3,10H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyUBJXQLWWHODNIK-UHFFFAOYSA-N
XLogP1.17
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid
CID 773544
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 114818831
5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 1369682
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142

Frequently Asked Questions

What is the IUPAC name of 5-(carboxyamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(carboxyamino)benzene-1,3-dicarboxylic acid (CID 18974712) is 5-(carboxyamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(carboxyamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(carboxyamino)benzene-1,3-dicarboxylic acid is O=C(O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-(carboxyamino)benzene-1,3-dicarboxylic acid?
The InChIKey is UBJXQLWWHODNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO6/c11-7(12)4-1-5(8(13)14)3-6(2-4)10-9(15)16/h1-3,10H,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 5-(carboxyamino)benzene-1,3-dicarboxylic acid?
5-(carboxyamino)benzene-1,3-dicarboxylic acid has a molecular weight of 225.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxyamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 18974712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).