amino-(2-aminophenyl)carbamic acid

C7H9N3O2 — CID 143072822

IUPACamino-(2-aminophenyl)carbamic acid
SMILESNc1ccccc1N(N)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-5-3-1-2-4-6(5)10(9)7(11)12/h1-4H,8-9H2,(H,11,12)
InChIKeyFQXAVYSOFHAVRN-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.63
Rot. Bonds1

About amino-(2-aminophenyl)carbamic acid

amino-(2-aminophenyl)carbamic acid (PubChem CID 143072822) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is amino-(2-aminophenyl)carbamic acid.

Molecular Properties

Compound Nameamino-(2-aminophenyl)carbamic acid
PubChem CID143072822
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameamino-(2-aminophenyl)carbamic acid
SMILESNc1ccccc1N(N)C(=O)O
InChIInChI=1S/C7H9N3O2/c8-5-3-1-2-4-6(5)10(9)7(11)12/h1-4H,8-9H2,(H,11,12)
InChIKeyFQXAVYSOFHAVRN-UHFFFAOYSA-N
XLogP0.63
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze amino-(2-aminophenyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
N-(2-aminophenyl)oxetane-3-carbohydrazide
CID 172574586
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
CID 175418478
N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
benzene-1,2-diamine;carbonic acid
CID 22256139
amino-[2-(1,2-oxazol-3-yl)phenyl]carbamic acid
CID 174582249
N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
CID 142529747
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
2-aminobenzoic acid;azane
CID 21425790
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
1-amino-1-(2-aminophenyl)-3,3-dimethylguanidine;dihydrochloride
CID 18386539
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618

Frequently Asked Questions

What is the IUPAC name of amino-(2-aminophenyl)carbamic acid?
The IUPAC name of amino-(2-aminophenyl)carbamic acid (CID 143072822) is amino-(2-aminophenyl)carbamic acid.
What is the SMILES notation for amino-(2-aminophenyl)carbamic acid?
The canonical SMILES for amino-(2-aminophenyl)carbamic acid is Nc1ccccc1N(N)C(=O)O.
What is the InChIKey of amino-(2-aminophenyl)carbamic acid?
The InChIKey is FQXAVYSOFHAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-5-3-1-2-4-6(5)10(9)7(11)12/h1-4H,8-9H2,(H,11,12).
What are the key properties of amino-(2-aminophenyl)carbamic acid?
amino-(2-aminophenyl)carbamic acid has a molecular weight of 167.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-aminophenyl)carbamic acid is sourced from PubChem (CID 143072822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).