(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C14H29NO3Si — CID 11000691

IUPAC(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-9(8-18-19(6,7)14(3,4)5)12-11(10(2)16)13(17)15-12/h9-12,16H,8H2,1-7H3,(H,15,17)/t9-,10+,11+,12+/m0/s1
InChIKeyBNYYJMLJZFRWBD-IRCOFANPSA-N
MW287.48 g/mol
LogP2.14
Rot. Bonds5

About (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 11000691) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID11000691
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-9(8-18-19(6,7)14(3,4)5)12-11(10(2)16)13(17)15-12/h9-12,16H,8H2,1-7H3,(H,15,17)/t9-,10+,11+,12+/m0/s1
InChIKeyBNYYJMLJZFRWBD-IRCOFANPSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 11000691) is (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is BNYYJMLJZFRWBD-IRCOFANPSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-9(8-18-19(6,7)14(3,4)5)12-11(10(2)16)13(17)15-12/h9-12,16H,8H2,1-7H3,(H,15,17)/t9-,10+,11+,12+/m0/s1.
What are the key properties of (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 287.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 11000691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).