2-carbamoyloxypropyl carbamate

C5H10N2O4 — CID 3060523

IUPAC2-carbamoyloxypropyl carbamate
SMILESCC(COC(N)=O)OC(N)=O
InChIInChI=1S/C5H10N2O4/c1-3(11-5(7)9)2-10-4(6)8/h3H,2H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyJPXZMWMLOYASFU-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.43
Rot. Bonds3

About 2-carbamoyloxypropyl carbamate

2-carbamoyloxypropyl carbamate (PubChem CID 3060523) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-carbamoyloxypropyl carbamate.

Molecular Properties

Compound Name2-carbamoyloxypropyl carbamate
PubChem CID3060523
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name2-carbamoyloxypropyl carbamate
SMILESCC(COC(N)=O)OC(N)=O
InChIInChI=1S/C5H10N2O4/c1-3(11-5(7)9)2-10-4(6)8/h3H,2H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyJPXZMWMLOYASFU-UHFFFAOYSA-N
XLogP-0.43
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-carbamoyloxypropyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxypropyl carbamate?
The IUPAC name of 2-carbamoyloxypropyl carbamate (CID 3060523) is 2-carbamoyloxypropyl carbamate.
What is the SMILES notation for 2-carbamoyloxypropyl carbamate?
The canonical SMILES for 2-carbamoyloxypropyl carbamate is CC(COC(N)=O)OC(N)=O.
What is the InChIKey of 2-carbamoyloxypropyl carbamate?
The InChIKey is JPXZMWMLOYASFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(11-5(7)9)2-10-4(6)8/h3H,2H2,1H3,(H2,6,8)(H2,7,9).
What are the key properties of 2-carbamoyloxypropyl carbamate?
2-carbamoyloxypropyl carbamate has a molecular weight of 162.15 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxypropyl carbamate is sourced from PubChem (CID 3060523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).