tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate

C14H22N2O3 — CID 139256074

IUPACtert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN1C[C@H](N(CC=C)C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H22N2O3/c1-6-8-15-10-11(12(15)17)16(9-7-2)13(18)19-14(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/t11-/m0/s1
InChIKeyAWOGNFJAVHZUNK-NSHDSACASA-N
MW266.34 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate (PubChem CID 139256074) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate
PubChem CID139256074
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN1C[C@H](N(CC=C)C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H22N2O3/c1-6-8-15-10-11(12(15)17)16(9-7-2)13(18)19-14(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/t11-/m0/s1
InChIKeyAWOGNFJAVHZUNK-NSHDSACASA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate (CID 139256074) is tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate is C=CCN1C[C@H](N(CC=C)C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate?
The InChIKey is AWOGNFJAVHZUNK-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-8-15-10-11(12(15)17)16(9-7-2)13(18)19-14(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate has a molecular weight of 266.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 139256074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).