5-carbamoylbenzene-1,3-dicarboxylic acid

C9H7NO5 — CID 18413527

IUPAC5-carbamoylbenzene-1,3-dicarboxylic acid
SMILESNC(=O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H7NO5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H2,10,11)(H,12,13)(H,14,15)
InChIKeyQHVJZYJNUUACLR-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.18
Rot. Bonds3

About 5-carbamoylbenzene-1,3-dicarboxylic acid

5-carbamoylbenzene-1,3-dicarboxylic acid (PubChem CID 18413527) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 5-carbamoylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-carbamoylbenzene-1,3-dicarboxylic acid
PubChem CID18413527
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name5-carbamoylbenzene-1,3-dicarboxylic acid
SMILESNC(=O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H7NO5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H2,10,11)(H,12,13)(H,14,15)
InChIKeyQHVJZYJNUUACLR-UHFFFAOYSA-N
XLogP0.18
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-carbamoylbenzene-1,3-dicarboxylic acid (CID 18413527) is 5-carbamoylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-carbamoylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-carbamoylbenzene-1,3-dicarboxylic acid is NC(=O)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-carbamoylbenzene-1,3-dicarboxylic acid?
The InChIKey is QHVJZYJNUUACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H2,10,11)(H,12,13)(H,14,15).
What are the key properties of 5-carbamoylbenzene-1,3-dicarboxylic acid?
5-carbamoylbenzene-1,3-dicarboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 18413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).