(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one

C16H25N3O — CID 70366943

IUPAC(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one
SMILESCCN(CC)[C@@H]1C(=O)N(C(C)(C)C)[C@H]1c1ccccn1
InChIInChI=1S/C16H25N3O/c1-6-18(7-2)14-13(12-10-8-9-11-17-12)19(15(14)20)16(3,4)5/h8-11,13-14H,6-7H2,1-5H3/t13-,14-/m0/s1
InChIKeyHCLXAQWGQMYXNM-KBPBESRZSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds4

About (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one

(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one (PubChem CID 70366943) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one
PubChem CID70366943
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one
SMILESCCN(CC)[C@@H]1C(=O)N(C(C)(C)C)[C@H]1c1ccccn1
InChIInChI=1S/C16H25N3O/c1-6-18(7-2)14-13(12-10-8-9-11-17-12)19(15(14)20)16(3,4)5/h8-11,13-14H,6-7H2,1-5H3/t13-,14-/m0/s1
InChIKeyHCLXAQWGQMYXNM-KBPBESRZSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one?
The IUPAC name of (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one (CID 70366943) is (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one is CCN(CC)[C@@H]1C(=O)N(C(C)(C)C)[C@H]1c1ccccn1.
What is the InChIKey of (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one?
The InChIKey is HCLXAQWGQMYXNM-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-18(7-2)14-13(12-10-8-9-11-17-12)19(15(14)20)16(3,4)5/h8-11,13-14H,6-7H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one?
(3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-tert-butyl-3-(diethylamino)-4-pyridin-2-ylazetidin-2-one is sourced from PubChem (CID 70366943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).