(aminomethylamino)-phenylcarbamic acid

C8H11N3O2 — CID 141019452

IUPAC(aminomethylamino)-phenylcarbamic acid
SMILESNCNN(C(=O)O)c1ccccc1
InChIInChI=1S/C8H11N3O2/c9-6-10-11(8(12)13)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,12,13)
InChIKeyAALCMHVSNBPSSW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.59
Rot. Bonds3

About (aminomethylamino)-phenylcarbamic acid

(aminomethylamino)-phenylcarbamic acid (PubChem CID 141019452) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (aminomethylamino)-phenylcarbamic acid.

Molecular Properties

Compound Name(aminomethylamino)-phenylcarbamic acid
PubChem CID141019452
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(aminomethylamino)-phenylcarbamic acid
SMILESNCNN(C(=O)O)c1ccccc1
InChIInChI=1S/C8H11N3O2/c9-6-10-11(8(12)13)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,12,13)
InChIKeyAALCMHVSNBPSSW-UHFFFAOYSA-N
XLogP0.59
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (aminomethylamino)-phenylcarbamic 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

ethylamino(phenyl)carbamic acid
CID 159582603
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
hydroxymethyl(phenyl)carbamic acid
CID 69165687
mercury;(N-phenylanilino)urea
CID 175145706
2-amino-N-phenylacetohydrazide
CID 70067236
(N-(2,2-diphenylhydrazinyl)anilino)benzene
CID 91743548
cobalt;bis(diphenylcarbamic acid)
CID 155679078
carbonic acid;1,1,2-triphenylhydrazine
CID 160785821
1,1-diphenylurea
CID 174849888
2-(N-carboxyanilino)-2-oxoacetic acid
CID 69036482
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
benzyl N-(N-phenylanilino)carbamate
CID 71360694

Frequently Asked Questions

What is the IUPAC name of (aminomethylamino)-phenylcarbamic acid?
The IUPAC name of (aminomethylamino)-phenylcarbamic acid (CID 141019452) is (aminomethylamino)-phenylcarbamic acid.
What is the SMILES notation for (aminomethylamino)-phenylcarbamic acid?
The canonical SMILES for (aminomethylamino)-phenylcarbamic acid is NCNN(C(=O)O)c1ccccc1.
What is the InChIKey of (aminomethylamino)-phenylcarbamic acid?
The InChIKey is AALCMHVSNBPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-6-10-11(8(12)13)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,12,13).
What are the key properties of (aminomethylamino)-phenylcarbamic acid?
(aminomethylamino)-phenylcarbamic acid has a molecular weight of 181.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (aminomethylamino)-phenylcarbamic acid is sourced from PubChem (CID 141019452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).