[(4-aminobenzoyl)amino]carbamic acid

C8H9N3O3 — CID 175797538

IUPAC[(4-aminobenzoyl)amino]carbamic acid
SMILESNc1ccc(C(=O)NNC(=O)O)cc1
InChIInChI=1S/C8H9N3O3/c9-6-3-1-5(2-4-6)7(12)10-11-8(13)14/h1-4,11H,9H2,(H,10,12)(H,13,14)
InChIKeyGVCZEPXTRZRYEG-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.18
Rot. Bonds1

About [(4-aminobenzoyl)amino]carbamic acid

[(4-aminobenzoyl)amino]carbamic acid (PubChem CID 175797538) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [(4-aminobenzoyl)amino]carbamic acid.

Molecular Properties

Compound Name[(4-aminobenzoyl)amino]carbamic acid
PubChem CID175797538
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[(4-aminobenzoyl)amino]carbamic acid
SMILESNc1ccc(C(=O)NNC(=O)O)cc1
InChIInChI=1S/C8H9N3O3/c9-6-3-1-5(2-4-6)7(12)10-11-8(13)14/h1-4,11H,9H2,(H,10,12)(H,13,14)
InChIKeyGVCZEPXTRZRYEG-UHFFFAOYSA-N
XLogP0.18
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
4-aminobenzoic acid;hydrofluoride
CID 159690577
bis(1-(4-aminophenyl)ethanone);yttrium
CID 58212341
4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide
CID 2642178
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
CID 149308165
CID 149308165
4-amino-N-cyanobenzamide
CID 12713849
1-[(4-aminobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 125468827
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717

Frequently Asked Questions

What is the IUPAC name of [(4-aminobenzoyl)amino]carbamic acid?
The IUPAC name of [(4-aminobenzoyl)amino]carbamic acid (CID 175797538) is [(4-aminobenzoyl)amino]carbamic acid.
What is the SMILES notation for [(4-aminobenzoyl)amino]carbamic acid?
The canonical SMILES for [(4-aminobenzoyl)amino]carbamic acid is Nc1ccc(C(=O)NNC(=O)O)cc1.
What is the InChIKey of [(4-aminobenzoyl)amino]carbamic acid?
The InChIKey is GVCZEPXTRZRYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-6-3-1-5(2-4-6)7(12)10-11-8(13)14/h1-4,11H,9H2,(H,10,12)(H,13,14).
What are the key properties of [(4-aminobenzoyl)amino]carbamic acid?
[(4-aminobenzoyl)amino]carbamic acid has a molecular weight of 195.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-aminobenzoyl)amino]carbamic acid is sourced from PubChem (CID 175797538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).