4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea

C11H13N5O5 — CID 3083839

IUPAC4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C4H6N4O3/c8-6-3-1-5(2-4-6)7(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,8H2,(H,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyQWVSDCVMXDUGML-UHFFFAOYSA-N
MW295.25 g/mol
LogP-1.21
Rot. Bonds2

About 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea

4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea (PubChem CID 3083839) has the molecular formula C11H13N5O5 and a molecular weight of 295.25 g/mol. Its IUPAC name is 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea.

Molecular Properties

Compound Name4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea
PubChem CID3083839
Molecular FormulaC11H13N5O5
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C4H6N4O3/c8-6-3-1-5(2-4-6)7(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,8H2,(H,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyQWVSDCVMXDUGML-UHFFFAOYSA-N
XLogP-1.21
TPSA176.64 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea?
The IUPAC name of 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea (CID 3083839) is 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea.
What is the SMILES notation for 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea?
The canonical SMILES for 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea is NC(=O)NC1NC(=O)NC1=O.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea?
The InChIKey is QWVSDCVMXDUGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H6N4O3/c8-6-3-1-5(2-4-6)7(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,8H2,(H,9,10);1H,(H3,5,6,10)(H2,7,8,9,11).
What are the key properties of 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea?
4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea has a molecular weight of 295.25 g/mol, XLogP of -1.21, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;(2,5-dioxoimidazolidin-4-yl)urea is sourced from PubChem (CID 3083839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).