methyl(methylamino)carbamic acid

C3H8N2O2 — CID 23500234

IUPACmethyl(methylamino)carbamic acid
SMILESCNN(C)C(=O)O
InChIInChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7)
InChIKeyFFKMJIXALNLRDK-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.27
Rot. Bonds1

About methyl(methylamino)carbamic acid

methyl(methylamino)carbamic acid (PubChem CID 23500234) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is methyl(methylamino)carbamic acid.

Molecular Properties

Compound Namemethyl(methylamino)carbamic acid
PubChem CID23500234
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Namemethyl(methylamino)carbamic acid
SMILESCNN(C)C(=O)O
InChIInChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7)
InChIKeyFFKMJIXALNLRDK-UHFFFAOYSA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(methylamino)carbamic acid?
The IUPAC name of methyl(methylamino)carbamic acid (CID 23500234) is methyl(methylamino)carbamic acid.
What is the SMILES notation for methyl(methylamino)carbamic acid?
The canonical SMILES for methyl(methylamino)carbamic acid is CNN(C)C(=O)O.
What is the InChIKey of methyl(methylamino)carbamic acid?
The InChIKey is FFKMJIXALNLRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-4-5(2)3(6)7/h4H,1-2H3,(H,6,7).
What are the key properties of methyl(methylamino)carbamic acid?
methyl(methylamino)carbamic acid has a molecular weight of 104.11 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylamino)carbamic acid is sourced from PubChem (CID 23500234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).