(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one

C25H26N2O2 — CID 70150205

IUPAC(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one
SMILESCCCO[C@H]1NC(=O)[C@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-2-18-29-24-22(23(28)26-24)27-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24,27H,2,18H2,1H3,(H,26,28)/t22-,24-/m1/s1
InChIKeyHTKSLXUTTMWQKP-ISKFKSNPSA-N
MW386.50 g/mol
LogP3.82
Rot. Bonds8

About (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one

(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one (PubChem CID 70150205) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one
PubChem CID70150205
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one
SMILESCCCO[C@H]1NC(=O)[C@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-2-18-29-24-22(23(28)26-24)27-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24,27H,2,18H2,1H3,(H,26,28)/t22-,24-/m1/s1
InChIKeyHTKSLXUTTMWQKP-ISKFKSNPSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one?
The IUPAC name of (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one (CID 70150205) is (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one?
The canonical SMILES for (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one is CCCO[C@H]1NC(=O)[C@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one?
The InChIKey is HTKSLXUTTMWQKP-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-18-29-24-22(23(28)26-24)27-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24,27H,2,18H2,1H3,(H,26,28)/t22-,24-/m1/s1.
What are the key properties of (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one?
(3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-propoxy-3-(tritylamino)azetidin-2-one is sourced from PubChem (CID 70150205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).