(carbamoylamino) 2-aminobenzoate

C8H9N3O3 — CID 86633295

IUPAC(carbamoylamino) 2-aminobenzoate
SMILESNC(=O)NOC(=O)c1ccccc1N
InChIInChI=1S/C8H9N3O3/c9-6-4-2-1-3-5(6)7(12)14-11-8(10)13/h1-4H,9H2,(H3,10,11,13)
InChIKeyQUQOVOYKGYPTFE-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.01
Rot. Bonds1

About (carbamoylamino) 2-aminobenzoate

(carbamoylamino) 2-aminobenzoate (PubChem CID 86633295) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is (carbamoylamino) 2-aminobenzoate.

Molecular Properties

Compound Name(carbamoylamino) 2-aminobenzoate
PubChem CID86633295
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name(carbamoylamino) 2-aminobenzoate
SMILESNC(=O)NOC(=O)c1ccccc1N
InChIInChI=1S/C8H9N3O3/c9-6-4-2-1-3-5(6)7(12)14-11-8(10)13/h1-4H,9H2,(H3,10,11,13)
InChIKeyQUQOVOYKGYPTFE-UHFFFAOYSA-N
XLogP0.01
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

calcium;(carbamoylamino) 2-acetyloxybenzoate;hydride
CID 174875643
(naphthalen-2-ylamino) 2-aminobenzoate
CID 175356662
bis(2-aminobenzamide);platinum(2+)
CID 50912239
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
hydrogen sulfite;methyl 2-aminobenzoate
CID 175096987
2-aminobenzoic acid;urea
CID 158027537
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
2,2-difluoroethyl 2-aminobenzoate
CID 61321077
1,3-dihydroxypropan-2-yl 2-aminobenzoate
CID 67638206
methylsulfanylmethyl 2-aminobenzoate
CID 67665029
(3-carbamoylphenyl)methyl 2-aminobenzoate
CID 61322407

Frequently Asked Questions

What is the IUPAC name of (carbamoylamino) 2-aminobenzoate?
The IUPAC name of (carbamoylamino) 2-aminobenzoate (CID 86633295) is (carbamoylamino) 2-aminobenzoate.
What is the SMILES notation for (carbamoylamino) 2-aminobenzoate?
The canonical SMILES for (carbamoylamino) 2-aminobenzoate is NC(=O)NOC(=O)c1ccccc1N.
What is the InChIKey of (carbamoylamino) 2-aminobenzoate?
The InChIKey is QUQOVOYKGYPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-6-4-2-1-3-5(6)7(12)14-11-8(10)13/h1-4H,9H2,(H3,10,11,13).
What are the key properties of (carbamoylamino) 2-aminobenzoate?
(carbamoylamino) 2-aminobenzoate has a molecular weight of 195.18 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoylamino) 2-aminobenzoate is sourced from PubChem (CID 86633295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).