amino-(2-methylphenyl)carbamic acid

C8H10N2O2 — CID 56994744

IUPACamino-(2-methylphenyl)carbamic acid
SMILESCc1ccccc1N(N)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6-4-2-3-5-7(6)10(9)8(11)12/h2-5H,9H2,1H3,(H,11,12)
InChIKeyFHNQZELMUZXVGU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.35
Rot. Bonds1

About amino-(2-methylphenyl)carbamic acid

amino-(2-methylphenyl)carbamic acid (PubChem CID 56994744) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is amino-(2-methylphenyl)carbamic acid.

Molecular Properties

Compound Nameamino-(2-methylphenyl)carbamic acid
PubChem CID56994744
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameamino-(2-methylphenyl)carbamic acid
SMILESCc1ccccc1N(N)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6-4-2-3-5-7(6)10(9)8(11)12/h2-5H,9H2,1H3,(H,11,12)
InChIKeyFHNQZELMUZXVGU-UHFFFAOYSA-N
XLogP1.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-(2-methylphenyl)carbamic acid?
The IUPAC name of amino-(2-methylphenyl)carbamic acid (CID 56994744) is amino-(2-methylphenyl)carbamic acid.
What is the SMILES notation for amino-(2-methylphenyl)carbamic acid?
The canonical SMILES for amino-(2-methylphenyl)carbamic acid is Cc1ccccc1N(N)C(=O)O.
What is the InChIKey of amino-(2-methylphenyl)carbamic acid?
The InChIKey is FHNQZELMUZXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-2-3-5-7(6)10(9)8(11)12/h2-5H,9H2,1H3,(H,11,12).
What are the key properties of amino-(2-methylphenyl)carbamic acid?
amino-(2-methylphenyl)carbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methylphenyl)carbamic acid is sourced from PubChem (CID 56994744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).