(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one

C10H13N3O — CID 129451191

IUPAC(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@]1(C)c1ccncc1
InChIInChI=1S/C10H13N3O/c1-10(7-3-5-12-6-4-7)8(11)9(14)13(10)2/h3-6,8H,11H2,1-2H3/t8-,10-/m0/s1
InChIKeyHQVLNVUSYNQIMR-WPRPVWTQSA-N
MW191.23 g/mol
LogP0.10
Rot. Bonds1

About (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one

(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one (PubChem CID 129451191) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one
PubChem CID129451191
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@]1(C)c1ccncc1
InChIInChI=1S/C10H13N3O/c1-10(7-3-5-12-6-4-7)8(11)9(14)13(10)2/h3-6,8H,11H2,1-2H3/t8-,10-/m0/s1
InChIKeyHQVLNVUSYNQIMR-WPRPVWTQSA-N
XLogP0.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one (CID 129451191) is (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one is CN1C(=O)[C@H](N)[C@]1(C)c1ccncc1.
What is the InChIKey of (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one?
The InChIKey is HQVLNVUSYNQIMR-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(7-3-5-12-6-4-7)8(11)9(14)13(10)2/h3-6,8H,11H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one?
(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 129451191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).