(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one

C14H17NO4 — CID 10777944

IUPAC(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H](O)CO
InChIInChI=1S/C14H17NO4/c1-2-8-15-12(11(17)9-16)13(14(15)18)19-10-6-4-3-5-7-10/h2-7,11-13,16-17H,1,8-9H2/t11-,12+,13-/m1/s1
InChIKeyOPYKMCVHCMLKPI-FRRDWIJNSA-N
MW263.29 g/mol
LogP0.18
Rot. Bonds6

About (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one

(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one (PubChem CID 10777944) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
PubChem CID10777944
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H](O)CO
InChIInChI=1S/C14H17NO4/c1-2-8-15-12(11(17)9-16)13(14(15)18)19-10-6-4-3-5-7-10/h2-7,11-13,16-17H,1,8-9H2/t11-,12+,13-/m1/s1
InChIKeyOPYKMCVHCMLKPI-FRRDWIJNSA-N
XLogP0.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one (CID 10777944) is (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](Oc2ccccc2)[C@@H]1[C@H](O)CO.
What is the InChIKey of (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
The InChIKey is OPYKMCVHCMLKPI-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-8-15-12(11(17)9-16)13(14(15)18)19-10-6-4-3-5-7-10/h2-7,11-13,16-17H,1,8-9H2/t11-,12+,13-/m1/s1.
What are the key properties of (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(1S)-1,2-dihydroxyethyl]-3-phenoxy-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 10777944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).