(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one

C16H17N3O — CID 57238552

IUPAC(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@H](N)[C@H]1c1ccccn1
InChIInChI=1S/C16H17N3O/c1-11(12-7-3-2-4-8-12)19-15(14(17)16(19)20)13-9-5-6-10-18-13/h2-11,14-15H,17H2,1H3/t11-,14-,15-/m1/s1
InChIKeyDXECEUKVZKLBQF-KCPJHIHWSA-N
MW267.33 g/mol
LogP2.05
Rot. Bonds3

About (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one

(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one (PubChem CID 57238552) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
PubChem CID57238552
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@H](N)[C@H]1c1ccccn1
InChIInChI=1S/C16H17N3O/c1-11(12-7-3-2-4-8-12)19-15(14(17)16(19)20)13-9-5-6-10-18-13/h2-11,14-15H,17H2,1H3/t11-,14-,15-/m1/s1
InChIKeyDXECEUKVZKLBQF-KCPJHIHWSA-N
XLogP2.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.05
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-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one (CID 57238552) is (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one is C[C@H](c1ccccc1)N1C(=O)[C@H](N)[C@H]1c1ccccn1.
What is the InChIKey of (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one?
The InChIKey is DXECEUKVZKLBQF-KCPJHIHWSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(12-7-3-2-4-8-12)19-15(14(17)16(19)20)13-9-5-6-10-18-13/h2-11,14-15H,17H2,1H3/t11-,14-,15-/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one?
(3R,4S)-3-amino-1-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.05, 3 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-[(1R)-1-phenylethyl]-4-pyridin-2-ylazetidin-2-one is sourced from PubChem (CID 57238552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).