(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one

C13H17NO2 — CID 10955042

IUPAC(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@H]1C(=O)N[C@@H]1C
InChIInChI=1S/C13H17NO2/c1-9-12(13(15)14-9)10(2)16-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,14,15)/t9-,10+,12+/m1/s1
InChIKeySXMKJVXNDATHNO-SCVCMEIPSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds4

About (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one

(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one (PubChem CID 10955042) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one
PubChem CID10955042
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one
SMILESC[C@H](OCc1ccccc1)[C@H]1C(=O)N[C@@H]1C
InChIInChI=1S/C13H17NO2/c1-9-12(13(15)14-9)10(2)16-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,14,15)/t9-,10+,12+/m1/s1
InChIKeySXMKJVXNDATHNO-SCVCMEIPSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-oxo-azetidin-2-yl ester
CID 11703830
(2S)-2-amino-N-octadecyl-3-phenylmethoxypropanamide
CID 44392622
(3S-trans)-3-Benzyloxycarbonylamino-4-methylazetidinone
CID 13182463
(3S,6S)-3-(phenylmethoxymethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 155566344
N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15399477
benzyl N-[(1S)-1-[(2R,3R)-2-ethenyl-4-oxo-1-prop-2-enylazetidin-3-yl]ethyl]carbamate
CID 101152596
benzyl N-[(1S)-1-[(2S,3S)-2-ethenyl-4-oxo-1-prop-2-enylazetidin-3-yl]ethyl]carbamate
CID 101152603
(2R)-2-methyl-N-(2-methylpropyl)-3-phenylmethoxypropanamide
CID 139253866
N-[2-(benzyloxy)ethyl]-1-(methoxymethyl)cyclobutanecarboxamide
CID 74250053
(3RS,4RS)-3-[1(RS)-fluoroethyl]-2-oxoazetidine-4-yl-acetic acid benzylester
CID 13471581
(3RS,4RS)-3-(1-fluoro-1-methylethyl)-2-oxoazetidine-4-yl-acetic acid benzylester
CID 13471582
(3R,4R)-4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
CID 57784712

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one (CID 10955042) is (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one is C[C@H](OCc1ccccc1)[C@H]1C(=O)N[C@@H]1C.
What is the InChIKey of (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one?
The InChIKey is SXMKJVXNDATHNO-SCVCMEIPSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-12(13(15)14-9)10(2)16-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,14,15)/t9-,10+,12+/m1/s1.
What are the key properties of (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one?
(3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-3-[(1S)-1-phenylmethoxyethyl]azetidin-2-one is sourced from PubChem (CID 10955042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).