(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one

C11H20ClNO2 — CID 11390658

IUPAC(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one
SMILESCO[C@]1(C)C(=O)N(C(C)C)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C11H20ClNO2/c1-7(2)13-8(10(3,4)12)11(5,15-6)9(13)14/h7-8H,1-6H3/t8-,11+/m1/s1
InChIKeyBVYANMUMAXAQGG-KCJUWKMLSA-N
MW233.74 g/mol
LogP2.03
Rot. Bonds3

About (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one

(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one (PubChem CID 11390658) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one
PubChem CID11390658
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one
SMILESCO[C@]1(C)C(=O)N(C(C)C)[C@@H]1C(C)(C)Cl
InChIInChI=1S/C11H20ClNO2/c1-7(2)13-8(10(3,4)12)11(5,15-6)9(13)14/h7-8H,1-6H3/t8-,11+/m1/s1
InChIKeyBVYANMUMAXAQGG-KCJUWKMLSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one with MolForge

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Related Compounds

(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-1-propan-2-ylazetidin-2-one
CID 11148714
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-methoxyazetidin-2-one
CID 11425436
(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-1-prop-2-enylazetidin-2-one
CID 11816804
(3S,4R)-4-(1-chloro-2-methylpropan-2-yl)-3-methoxy-1-propan-2-ylazetidin-2-one
CID 11241785
(3S,4S)-1-tert-butyl-4-(2-chloropropan-2-yl)-3-methoxyazetidin-2-one
CID 11644340
(3S,4S)-4-(2-chloropropan-2-yl)-1-(3-hydroxypropyl)-3-methoxyazetidin-2-one
CID 25228110
(3S,4S)-4-(2-chloropropan-2-yl)-1-(2-hydroxyethyl)-3-methoxyazetidin-2-one
CID 25228369
(3S,4S)-1-butyl-4-[(1S)-1-chloroethyl]-3-methoxyazetidin-2-one
CID 102396359

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one (CID 11390658) is (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one is CO[C@]1(C)C(=O)N(C(C)C)[C@@H]1C(C)(C)Cl.
What is the InChIKey of (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one?
The InChIKey is BVYANMUMAXAQGG-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-7(2)13-8(10(3,4)12)11(5,15-6)9(13)14/h7-8H,1-6H3/t8-,11+/m1/s1.
What are the key properties of (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one?
(3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one has a molecular weight of 233.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-chloropropan-2-yl)-3-methoxy-3-methyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 11390658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).