2-aminobenzoic acid;urea

C8H11N3O3 — CID 158027537

IUPAC2-aminobenzoic acid;urea
SMILESNC(N)=O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.CH4N2O/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4H,8H2,(H,9,10);(H4,2,3,4)
InChIKeyFGTXLSNPQIFPNG-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.01
Rot. Bonds1

About 2-aminobenzoic acid;urea

2-aminobenzoic acid;urea (PubChem CID 158027537) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-aminobenzoic acid;urea.

Molecular Properties

Compound Name2-aminobenzoic acid;urea
PubChem CID158027537
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-aminobenzoic acid;urea
SMILESNC(N)=O.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2.CH4N2O/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4H,8H2,(H,9,10);(H4,2,3,4)
InChIKeyFGTXLSNPQIFPNG-UHFFFAOYSA-N
XLogP-0.01
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;urea?
The IUPAC name of 2-aminobenzoic acid;urea (CID 158027537) is 2-aminobenzoic acid;urea.
What is the SMILES notation for 2-aminobenzoic acid;urea?
The canonical SMILES for 2-aminobenzoic acid;urea is NC(N)=O.Nc1ccccc1C(=O)O.
What is the InChIKey of 2-aminobenzoic acid;urea?
The InChIKey is FGTXLSNPQIFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.CH4N2O/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4/h1-4H,8H2,(H,9,10);(H4,2,3,4).
What are the key properties of 2-aminobenzoic acid;urea?
2-aminobenzoic acid;urea has a molecular weight of 197.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;urea is sourced from PubChem (CID 158027537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).