dimethylaminocarbamic acid

C3H8N2O2 — CID 19939255

IUPACdimethylaminocarbamic acid
SMILESCN(C)NC(=O)O
InChIInChI=1S/C3H8N2O2/c1-5(2)4-3(6)7/h4H,1-2H3,(H,6,7)
InChIKeyUOUXNEHTZXMGSV-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.27
Rot. Bonds1

About dimethylaminocarbamic acid

dimethylaminocarbamic acid (PubChem CID 19939255) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is dimethylaminocarbamic acid.

Molecular Properties

Compound Namedimethylaminocarbamic acid
PubChem CID19939255
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Namedimethylaminocarbamic acid
SMILESCN(C)NC(=O)O
InChIInChI=1S/C3H8N2O2/c1-5(2)4-3(6)7/h4H,1-2H3,(H,6,7)
InChIKeyUOUXNEHTZXMGSV-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 dimethylaminocarbamic acid?
The IUPAC name of dimethylaminocarbamic acid (CID 19939255) is dimethylaminocarbamic acid.
What is the SMILES notation for dimethylaminocarbamic acid?
The canonical SMILES for dimethylaminocarbamic acid is CN(C)NC(=O)O.
What is the InChIKey of dimethylaminocarbamic acid?
The InChIKey is UOUXNEHTZXMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-5(2)4-3(6)7/h4H,1-2H3,(H,6,7).
What are the key properties of dimethylaminocarbamic acid?
dimethylaminocarbamic 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 dimethylaminocarbamic acid is sourced from PubChem (CID 19939255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).