(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one

C18H23NO3 — CID 10662044

IUPAC(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one
SMILESC=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](O)CC=C
InChIInChI=1S/C18H23NO3/c1-3-5-12-19-16(15(20)9-4-2)17(18(19)21)22-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15-17,20H,1-2,5,9,12-13H2/t15-,16+,17-/m1/s1
InChIKeyRNBLGIWZFXGJSX-IXDOHACOSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds9

About (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one

(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one (PubChem CID 10662044) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one
PubChem CID10662044
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one
SMILESC=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](O)CC=C
InChIInChI=1S/C18H23NO3/c1-3-5-12-19-16(15(20)9-4-2)17(18(19)21)22-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15-17,20H,1-2,5,9,12-13H2/t15-,16+,17-/m1/s1
InChIKeyRNBLGIWZFXGJSX-IXDOHACOSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-phenylmethoxy-1-propan-2-yl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidin-2-one
CID 139095407
(3S,4S)-4-(2-chloropropan-2-yl)-1-cyclohexyl-3-phenylmethoxyazetidin-2-one
CID 11290618
(3S,4R)-4-ethynyl-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 10657736
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11220816
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenylmethoxy-1-propan-2-ylazetidin-2-one
CID 11289443
(3S,4S)-4-(2-chloropropan-2-yl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 11335364
(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11367993
(2S)-4-methyl-1-morpholin-4-yl-2-phenylmethoxypent-4-en-1-one
CID 15500412
(3R,4S)-4-(hydroxymethyl)-3-phenylmethoxyazetidin-2-one
CID 23634959
tert-butyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 134830504
N-[(2R,3R)-2-phenyloxetan-3-yl]-N-propylbutanamide
CID 134834161
4-hydroxy-2-phenylmethoxy-N-prop-2-enylbutanamide
CID 135013372

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one (CID 10662044) is (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one is C=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H]1[C@H](O)CC=C.
What is the InChIKey of (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is RNBLGIWZFXGJSX-IXDOHACOSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-5-12-19-16(15(20)9-4-2)17(18(19)21)22-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15-17,20H,1-2,5,9,12-13H2/t15-,16+,17-/m1/s1.
What are the key properties of (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one?
(3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-but-3-enyl-4-[(1R)-1-hydroxybut-3-enyl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 10662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).