aminomethylcarbamic acid;hydrochloride

C2H7ClN2O2 — CID 90118647

IUPACaminomethylcarbamic acid;hydrochloride
SMILESCl.NCNC(=O)O
InChIInChI=1S/C2H6N2O2.ClH/c3-1-4-2(5)6;/h4H,1,3H2,(H,5,6);1H
InChIKeyIIRWASWBWGTZME-UHFFFAOYSA-N
MW126.54 g/mol
LogP-0.41
Rot. Bonds1

About aminomethylcarbamic acid;hydrochloride

aminomethylcarbamic acid;hydrochloride (PubChem CID 90118647) has the molecular formula C2H7ClN2O2 and a molecular weight of 126.54 g/mol. Its IUPAC name is aminomethylcarbamic acid;hydrochloride.

Molecular Properties

Compound Nameaminomethylcarbamic acid;hydrochloride
PubChem CID90118647
Molecular FormulaC2H7ClN2O2
Molecular Weight126.54 g/mol
Exact Mass126.02
IUPAC Nameaminomethylcarbamic acid;hydrochloride
SMILESCl.NCNC(=O)O
InChIInChI=1S/C2H6N2O2.ClH/c3-1-4-2(5)6;/h4H,1,3H2,(H,5,6);1H
InChIKeyIIRWASWBWGTZME-UHFFFAOYSA-N
XLogP-0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.54
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Carboxyaminomethyl)urea
CID 440998
Methylureidocarboxylic acid
CID 14016420
N-(carboxylatoaminomethyl)urea
CID 45266621
(Carboxyamino)methylcarbamic acid
CID 13654841
Bis(carboxyamino)methylcarbamic acid
CID 23371190
Isocyanatomethylcarbamic acid
CID 87390212
Aminomethylcarbamic acid
CID 90118648
amino N-(aminomethyl)carbamate
CID 123895352
deuterio N-(aminomethyl)carbamate
CID 140714222
Methylaminomethylcarbamic acid
CID 154088929
Carbamic acid;methylurea
CID 158185473
Formamidomethylcarbamic acid
CID 59274464

Frequently Asked Questions

What is the IUPAC name of aminomethylcarbamic acid;hydrochloride?
The IUPAC name of aminomethylcarbamic acid;hydrochloride (CID 90118647) is aminomethylcarbamic acid;hydrochloride.
What is the SMILES notation for aminomethylcarbamic acid;hydrochloride?
The canonical SMILES for aminomethylcarbamic acid;hydrochloride is Cl.NCNC(=O)O.
What is the InChIKey of aminomethylcarbamic acid;hydrochloride?
The InChIKey is IIRWASWBWGTZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2.ClH/c3-1-4-2(5)6;/h4H,1,3H2,(H,5,6);1H.
What are the key properties of aminomethylcarbamic acid;hydrochloride?
aminomethylcarbamic acid;hydrochloride has a molecular weight of 126.54 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylcarbamic acid;hydrochloride is sourced from PubChem (CID 90118647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).