(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one

C18H31N3OSi2 — CID 15084846

IUPAC(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one
SMILESCC(C)(C)N1C(=O)[C@H](N2[Si](C)(C)CC[Si]2(C)C)[C@H]1c1ccccn1
InChIInChI=1S/C18H31N3OSi2/c1-18(2,3)20-15(14-10-8-9-11-19-14)16(17(20)22)21-23(4,5)12-13-24(21,6)7/h8-11,15-16H,12-13H2,1-7H3/t15-,16-/m1/s1
InChIKeySSFAPNHGRGALSN-HZPDHXFCSA-N
MW361.64 g/mol
LogP3.86
Rot. Bonds2

About (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one

(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one (PubChem CID 15084846) has the molecular formula C18H31N3OSi2 and a molecular weight of 361.64 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one
PubChem CID15084846
Molecular FormulaC18H31N3OSi2
Molecular Weight361.64 g/mol
Exact Mass361.20
IUPAC Name(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one
SMILESCC(C)(C)N1C(=O)[C@H](N2[Si](C)(C)CC[Si]2(C)C)[C@H]1c1ccccn1
InChIInChI=1S/C18H31N3OSi2/c1-18(2,3)20-15(14-10-8-9-11-19-14)16(17(20)22)21-23(4,5)12-13-24(21,6)7/h8-11,15-16H,12-13H2,1-7H3/t15-,16-/m1/s1
InChIKeySSFAPNHGRGALSN-HZPDHXFCSA-N
XLogP3.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 53.86
H-Bond Donors ≤ 50
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 (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one (CID 15084846) is (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one is CC(C)(C)N1C(=O)[C@H](N2[Si](C)(C)CC[Si]2(C)C)[C@H]1c1ccccn1.
What is the InChIKey of (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one?
The InChIKey is SSFAPNHGRGALSN-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H31N3OSi2/c1-18(2,3)20-15(14-10-8-9-11-19-14)16(17(20)22)21-23(4,5)12-13-24(21,6)7/h8-11,15-16H,12-13H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one?
(3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one has a molecular weight of 361.64 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-4-pyridin-2-yl-3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)azetidin-2-one is sourced from PubChem (CID 15084846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).