(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one

C12H21NO2 — CID 24805703

IUPAC(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one
SMILESC=C(C)CN1C(=O)[C@@H](OC)[C@H]1C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-8(2)7-13-10(12(3,4)5)9(15-6)11(13)14/h9-10H,1,7H2,2-6H3/t9-,10-/m0/s1
InChIKeyBBLCZLHNDBMLIF-UWVGGRQHSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds3

About (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one

(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one (PubChem CID 24805703) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one
PubChem CID24805703
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one
SMILESC=C(C)CN1C(=O)[C@@H](OC)[C@H]1C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-8(2)7-13-10(12(3,4)5)9(15-6)11(13)14/h9-10H,1,7H2,2-6H3/t9-,10-/m0/s1
InChIKeyBBLCZLHNDBMLIF-UWVGGRQHSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidin-2-one
CID 11816804
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxy-1-prop-2-enylazetidin-2-one
CID 11369403
(3S,4R)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 11636933
Oappvcyyyqutsb-iucakerbsa-
CID 11736407
(3S,4R)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 11252593
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one
CID 11289261
(3S,4R)-4-tert-butyl-3-methoxy-1-prop-2-enylazetidin-2-one
CID 24805502
(3R,4S)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 101376903
(3R,4S)-1-tert-butyl-3-methoxy-4-prop-1-en-2-ylazetidin-2-one
CID 101376908

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one?
The IUPAC name of (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one (CID 24805703) is (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one is C=C(C)CN1C(=O)[C@@H](OC)[C@H]1C(C)(C)C.
What is the InChIKey of (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one?
The InChIKey is BBLCZLHNDBMLIF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)7-13-10(12(3,4)5)9(15-6)11(13)14/h9-10H,1,7H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one?
(3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-tert-butyl-3-methoxy-1-(2-methylprop-2-enyl)azetidin-2-one is sourced from PubChem (CID 24805703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).