amino(methyl)carbamic acid;hydrochloride

C2H7ClN2O2 — CID 87562338

IUPACamino(methyl)carbamic acid;hydrochloride
SMILESCN(N)C(=O)O.Cl
InChIInChI=1S/C2H6N2O2.ClH/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H
InChIKeyGIHCZXVKKCEGOM-UHFFFAOYSA-N
MW126.54 g/mol
LogP-0.11
Rot. Bonds

About amino(methyl)carbamic acid;hydrochloride

amino(methyl)carbamic acid;hydrochloride (PubChem CID 87562338) has the molecular formula C2H7ClN2O2 and a molecular weight of 126.54 g/mol. Its IUPAC name is amino(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Nameamino(methyl)carbamic acid;hydrochloride
PubChem CID87562338
Molecular FormulaC2H7ClN2O2
Molecular Weight126.54 g/mol
Exact Mass126.02
IUPAC Nameamino(methyl)carbamic acid;hydrochloride
SMILESCN(N)C(=O)O.Cl
InChIInChI=1S/C2H6N2O2.ClH/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H
InChIKeyGIHCZXVKKCEGOM-UHFFFAOYSA-N
XLogP-0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.54
LogP ≤ 5-0.11
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(methyl)carbamic acid;hydrochloride?
The IUPAC name of amino(methyl)carbamic acid;hydrochloride (CID 87562338) is amino(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for amino(methyl)carbamic acid;hydrochloride?
The canonical SMILES for amino(methyl)carbamic acid;hydrochloride is CN(N)C(=O)O.Cl.
What is the InChIKey of amino(methyl)carbamic acid;hydrochloride?
The InChIKey is GIHCZXVKKCEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2.ClH/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H.
What are the key properties of amino(methyl)carbamic acid;hydrochloride?
amino(methyl)carbamic acid;hydrochloride has a molecular weight of 126.54 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 87562338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).