tert-butyl N-[(3R)-oxolan-3-yl]carbamate

C9H17NO3 — CID 55264469

IUPACtert-butyl N-[(3R)-oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyFXXHXMXRVSVHQK-SSDOTTSWSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds1

About tert-butyl N-[(3R)-oxolan-3-yl]carbamate

tert-butyl N-[(3R)-oxolan-3-yl]carbamate (PubChem CID 55264469) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl N-[(3R)-oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-oxolan-3-yl]carbamate
PubChem CID55264469
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl N-[(3R)-oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKeyFXXHXMXRVSVHQK-SSDOTTSWSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-oxolan-3-yl]carbamate (CID 55264469) is tert-butyl N-[(3R)-oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-oxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCOC1.
What is the InChIKey of tert-butyl N-[(3R)-oxolan-3-yl]carbamate?
The InChIKey is FXXHXMXRVSVHQK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-oxolan-3-yl]carbamate?
tert-butyl N-[(3R)-oxolan-3-yl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-oxolan-3-yl]carbamate is sourced from PubChem (CID 55264469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).