(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate

C6H8N2O5 — CID 163749139

IUPAC(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate
SMILESC=NC(=O)OCC(=O)COC(N)=O
InChIInChI=1S/C6H8N2O5/c1-8-6(11)13-3-4(9)2-12-5(7)10/h1-3H2,(H2,7,10)
InChIKeyLOMJERRTGZFLJA-UHFFFAOYSA-N
MW188.14 g/mol
LogP-0.51
Rot. Bonds4

About (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate

(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate (PubChem CID 163749139) has the molecular formula C6H8N2O5 and a molecular weight of 188.14 g/mol. Its IUPAC name is (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate
PubChem CID163749139
Molecular FormulaC6H8N2O5
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate
SMILESC=NC(=O)OCC(=O)COC(N)=O
InChIInChI=1S/C6H8N2O5/c1-8-6(11)13-3-4(9)2-12-5(7)10/h1-3H2,(H2,7,10)
InChIKeyLOMJERRTGZFLJA-UHFFFAOYSA-N
XLogP-0.51
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate?
The IUPAC name of (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate (CID 163749139) is (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate.
What is the SMILES notation for (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate?
The canonical SMILES for (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate is C=NC(=O)OCC(=O)COC(N)=O.
What is the InChIKey of (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate?
The InChIKey is LOMJERRTGZFLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5/c1-8-6(11)13-3-4(9)2-12-5(7)10/h1-3H2,(H2,7,10).
What are the key properties of (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate?
(3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate has a molecular weight of 188.14 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-oxopropyl) N-methylidenecarbamate is sourced from PubChem (CID 163749139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).