oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate

C11H21NO3 — CID 130369490

IUPACoxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-4-11(2,3)12-10(13)15-8-9-6-5-7-14-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyYHXQNABCEPDRGI-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds4

About oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate

oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate (PubChem CID 130369490) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate
PubChem CID130369490
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameoxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-4-11(2,3)12-10(13)15-8-9-6-5-7-14-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyYHXQNABCEPDRGI-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate (CID 130369490) is oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is YHXQNABCEPDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(2,3)12-10(13)15-8-9-6-5-7-14-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate?
oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 130369490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).