dimethylamino(methyl)carbamic acid

C4H10N2O2 — CID 18704616

IUPACdimethylamino(methyl)carbamic acid
SMILESCN(C)N(C)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8)
InChIKeyVGWORCFMMUCYST-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.07
Rot. Bonds1

About dimethylamino(methyl)carbamic acid

dimethylamino(methyl)carbamic acid (PubChem CID 18704616) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is dimethylamino(methyl)carbamic acid.

Molecular Properties

Compound Namedimethylamino(methyl)carbamic acid
PubChem CID18704616
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Namedimethylamino(methyl)carbamic acid
SMILESCN(C)N(C)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8)
InChIKeyVGWORCFMMUCYST-UHFFFAOYSA-N
XLogP0.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
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 dimethylamino(methyl)carbamic acid?
The IUPAC name of dimethylamino(methyl)carbamic acid (CID 18704616) is dimethylamino(methyl)carbamic acid.
What is the SMILES notation for dimethylamino(methyl)carbamic acid?
The canonical SMILES for dimethylamino(methyl)carbamic acid is CN(C)N(C)C(=O)O.
What is the InChIKey of dimethylamino(methyl)carbamic acid?
The InChIKey is VGWORCFMMUCYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-5(2)6(3)4(7)8/h1-3H3,(H,7,8).
What are the key properties of dimethylamino(methyl)carbamic acid?
dimethylamino(methyl)carbamic acid has a molecular weight of 118.14 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(methyl)carbamic acid is sourced from PubChem (CID 18704616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).