tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate

C11H17NO4 — CID 134879495

IUPACtert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H]1COC1=O
InChIInChI=1S/C11H17NO4/c1-5-6-12(8-7-15-9(8)13)10(14)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyYAUOBSSSHKCNHG-MRVPVSSYSA-N
MW227.26 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate (PubChem CID 134879495) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate
PubChem CID134879495
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H]1COC1=O
InChIInChI=1S/C11H17NO4/c1-5-6-12(8-7-15-9(8)13)10(14)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyYAUOBSSSHKCNHG-MRVPVSSYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate (CID 134879495) is tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H]1COC1=O.
What is the InChIKey of tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate?
The InChIKey is YAUOBSSSHKCNHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-6-12(8-7-15-9(8)13)10(14)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate has a molecular weight of 227.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-oxooxetan-3-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 134879495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).