methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate

C15H19NO5 — CID 165341846

IUPACmethyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate
SMILESCOC(=O)C[C@@H](O)C[C@@H]1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyYBBQOPXECNAKKK-OLZOCXBDSA-N
MW293.32 g/mol
LogP1.03
Rot. Bonds7

About methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate

methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate (PubChem CID 165341846) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate
PubChem CID165341846
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate
SMILESCOC(=O)C[C@@H](O)C[C@@H]1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyYBBQOPXECNAKKK-OLZOCXBDSA-N
XLogP1.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate?
The IUPAC name of methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate (CID 165341846) is methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate.
What is the SMILES notation for methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate?
The canonical SMILES for methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate is COC(=O)C[C@@H](O)C[C@@H]1CC(=O)N1OCc1ccccc1.
What is the InChIKey of methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate?
The InChIKey is YBBQOPXECNAKKK-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-15(19)9-13(17)7-12-8-14(18)16(12)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate?
methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate has a molecular weight of 293.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-hydroxy-4-[(2R)-4-oxo-1-phenylmethoxyazetidin-2-yl]butanoate is sourced from PubChem (CID 165341846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).