dimethylcarbamoylcarbamic acid

C4H8N2O3 — CID 22418529

IUPACdimethylcarbamoylcarbamic acid
SMILESCN(C)C(=O)NC(=O)O
InChIInChI=1S/C4H8N2O3/c1-6(2)3(7)5-4(8)9/h1-2H3,(H,5,7)(H,8,9)
InChIKeyWIZLXKVNMRPIIN-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.06
Rot. Bonds

About dimethylcarbamoylcarbamic acid

dimethylcarbamoylcarbamic acid (PubChem CID 22418529) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is dimethylcarbamoylcarbamic acid.

Molecular Properties

Compound Namedimethylcarbamoylcarbamic acid
PubChem CID22418529
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Namedimethylcarbamoylcarbamic acid
SMILESCN(C)C(=O)NC(=O)O
InChIInChI=1S/C4H8N2O3/c1-6(2)3(7)5-4(8)9/h1-2H3,(H,5,7)(H,8,9)
InChIKeyWIZLXKVNMRPIIN-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoylcarbamic acid?
The IUPAC name of dimethylcarbamoylcarbamic acid (CID 22418529) is dimethylcarbamoylcarbamic acid.
What is the SMILES notation for dimethylcarbamoylcarbamic acid?
The canonical SMILES for dimethylcarbamoylcarbamic acid is CN(C)C(=O)NC(=O)O.
What is the InChIKey of dimethylcarbamoylcarbamic acid?
The InChIKey is WIZLXKVNMRPIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-6(2)3(7)5-4(8)9/h1-2H3,(H,5,7)(H,8,9).
What are the key properties of dimethylcarbamoylcarbamic acid?
dimethylcarbamoylcarbamic acid has a molecular weight of 132.12 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoylcarbamic acid is sourced from PubChem (CID 22418529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).