methylcarbamoylcarbamic acid

C3H6N2O3 — CID 14016420

IUPACmethylcarbamoylcarbamic acid
SMILESCNC(=O)NC(=O)O
InChIInChI=1S/C3H6N2O3/c1-4-2(6)5-3(7)8/h1H3,(H,7,8)(H2,4,5,6)
InChIKeyYXFLZFKARDZFNM-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.41
Rot. Bonds

About methylcarbamoylcarbamic acid

methylcarbamoylcarbamic acid (PubChem CID 14016420) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is methylcarbamoylcarbamic acid.

Molecular Properties

Compound Namemethylcarbamoylcarbamic acid
PubChem CID14016420
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Namemethylcarbamoylcarbamic acid
SMILESCNC(=O)NC(=O)O
InChIInChI=1S/C3H6N2O3/c1-4-2(6)5-3(7)8/h1H3,(H,7,8)(H2,4,5,6)
InChIKeyYXFLZFKARDZFNM-UHFFFAOYSA-N
XLogP-0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylcarbamoylcarbamic acid?
The IUPAC name of methylcarbamoylcarbamic acid (CID 14016420) is methylcarbamoylcarbamic acid.
What is the SMILES notation for methylcarbamoylcarbamic acid?
The canonical SMILES for methylcarbamoylcarbamic acid is CNC(=O)NC(=O)O.
What is the InChIKey of methylcarbamoylcarbamic acid?
The InChIKey is YXFLZFKARDZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c1-4-2(6)5-3(7)8/h1H3,(H,7,8)(H2,4,5,6).
What are the key properties of methylcarbamoylcarbamic acid?
methylcarbamoylcarbamic acid has a molecular weight of 118.09 g/mol, XLogP of -0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoylcarbamic acid is sourced from PubChem (CID 14016420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).