(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one

C14H23NO5 — CID 10850699

IUPAC(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one
SMILESC=CC[C@@H](O)CN1C(=O)[C@H](OC)[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO5/c1-5-6-9(16)7-15-11(12(18-4)13(15)17)10-8-19-14(2,3)20-10/h5,9-12,16H,1,6-8H2,2-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyIHTOLTALNQNIKY-WISYIIOYSA-N
MW285.34 g/mol
LogP0.30
Rot. Bonds6

About (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one

(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one (PubChem CID 10850699) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one
PubChem CID10850699
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one
SMILESC=CC[C@@H](O)CN1C(=O)[C@H](OC)[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO5/c1-5-6-9(16)7-15-11(12(18-4)13(15)17)10-8-19-14(2,3)20-10/h5,9-12,16H,1,6-8H2,2-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyIHTOLTALNQNIKY-WISYIIOYSA-N
XLogP0.30
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-but-3-enyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxyazetidin-2-one
CID 10729699
[(2R)-1-[(2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-4-oxoazetidin-1-yl]pent-4-en-2-yl] (2S)-2-acetyloxy-2-phenylacetate
CID 10742675
(1R)-1-[(2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxiran-2-yl]but-3-en-1-ol
CID 132509716
2-[[[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-prop-2-enylazetidin-3-yl]amino]methylidene]propanedioic acid
CID 70409926
2-[[[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-1-prop-2-enylazetidin-3-yl]amino]methylidene]propanedioic acid
CID 70408427
(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
CID 10912813
(3R,4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-(4-methoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 100929843
(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 123629490
(3S,4R)-3-chloro-1-[(2,4-dimethoxyphenyl)methyl]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 56624269
(3R,4S)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[[(2R,3S,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]azetidin-2-one
CID 10046868
(3aS,4S,6aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 101211706
[(2R)-4-but-3-enoyloxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-3-yl] but-3-enoate
CID 101385864

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one (CID 10850699) is (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one is C=CC[C@@H](O)CN1C(=O)[C@H](OC)[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one?
The InChIKey is IHTOLTALNQNIKY-WISYIIOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-6-9(16)7-15-11(12(18-4)13(15)17)10-8-19-14(2,3)20-10/h5,9-12,16H,1,6-8H2,2-4H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one?
(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one has a molecular weight of 285.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R)-2-hydroxypent-4-enyl]-3-methoxyazetidin-2-one is sourced from PubChem (CID 10850699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).