(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one

C12H15NO3 — CID 71082337

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C12H15NO3/c1-8(14)11-7-12(15)13(11)9-3-5-10(16-2)6-4-9/h3-6,8,11,14H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyKSMCFERUBCHVOY-LDYMZIIASA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds3

About (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one

(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 71082337) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID71082337
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C[C@@H]2[C@@H](C)O)cc1
InChIInChI=1S/C12H15NO3/c1-8(14)11-7-12(15)13(11)9-3-5-10(16-2)6-4-9/h3-6,8,11,14H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyKSMCFERUBCHVOY-LDYMZIIASA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-dihydroxyethyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 72770677
(4S,5R)-4-bromo-5-hydroxy-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10891443
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
methyl (2R,3R)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14704918
4-cyclohexyl-1-(4-methoxyphenyl)azetidin-2-one
CID 10999789
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3R,4R)-4-(diethoxymethyl)-3-[(1S)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14207077
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
2-(4-methoxyphenyl)-5-propan-2-ylpyrazolidin-3-one
CID 105494571
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one (CID 71082337) is (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)C[C@@H]2[C@@H](C)O)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is KSMCFERUBCHVOY-LDYMZIIASA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)11-7-12(15)13(11)9-3-5-10(16-2)6-4-9/h3-6,8,11,14H,7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one?
(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 71082337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).