[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate

C9H18N2O5 — CID 88940708

IUPAC[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
SMILESCNC(=O)OCC(O)COC(=O)NC(C)C
InChIInChI=1S/C9H18N2O5/c1-6(2)11-9(14)16-5-7(12)4-15-8(13)10-3/h6-7,12H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyWYDHDRICOSCWJE-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.16
Rot. Bonds5

About [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate

[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate (PubChem CID 88940708) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
PubChem CID88940708
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
SMILESCNC(=O)OCC(O)COC(=O)NC(C)C
InChIInChI=1S/C9H18N2O5/c1-6(2)11-9(14)16-5-7(12)4-15-8(13)10-3/h6-7,12H,4-5H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyWYDHDRICOSCWJE-UHFFFAOYSA-N
XLogP-0.16
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate?
The IUPAC name of [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate (CID 88940708) is [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate.
What is the SMILES notation for [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate?
The canonical SMILES for [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate is CNC(=O)OCC(O)COC(=O)NC(C)C.
What is the InChIKey of [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate?
The InChIKey is WYDHDRICOSCWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-6(2)11-9(14)16-5-7(12)4-15-8(13)10-3/h6-7,12H,4-5H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate?
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate has a molecular weight of 234.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate is sourced from PubChem (CID 88940708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).