methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate

C14H17NO4 — CID 100915456

IUPACmethyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](OC)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(10-7-5-4-6-8-10)15-11(14(17)19-3)12(18-2)13(15)16/h4-9,11-12H,1-3H3/t9?,11-,12-/m0/s1
InChIKeySEIDQSVALSXSDM-WEBCLNCGSA-N
MW263.29 g/mol
LogP1.15
Rot. Bonds4

About methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate

methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate (PubChem CID 100915456) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate
PubChem CID100915456
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](OC)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-9(10-7-5-4-6-8-10)15-11(14(17)19-3)12(18-2)13(15)16/h4-9,11-12H,1-3H3/t9?,11-,12-/m0/s1
InChIKeySEIDQSVALSXSDM-WEBCLNCGSA-N
XLogP1.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid
CID 77230305
2,2-Dimethyl1-benzylazetidine-2,2-dicarboxylate
CID 146148459
Methyl 5-benzyl-6-oxo-5-azaspiro[2.3]hexane-4-carboxylate
CID 11322539
methyl (2R)-1-[(4-fluorophenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 49793952
Methyl 4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-2,4-dioxobutanoate
CID 90774139
Methyl 4-[1-(4-fluorophenyl)ethyl-methylamino]-2,4-dioxobutanoate
CID 91204422
Ethyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 10879033
Diethyl 1-benzyl-4-oxoazetidine-2,2-dicarboxylate
CID 13505935
methyl (3S,4R)-4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 69172643
ditert-butyl (3S)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidine-2,2-dicarboxylate
CID 11546241
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
ethyl (2S)-1-[(1S)-1-phenylethyl]azetidine-2-carboxylate
CID 124506526

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate (CID 100915456) is methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate is COC(=O)[C@@H]1[C@H](OC)C(=O)N1C(C)c1ccccc1.
What is the InChIKey of methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate?
The InChIKey is SEIDQSVALSXSDM-WEBCLNCGSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(10-7-5-4-6-8-10)15-11(14(17)19-3)12(18-2)13(15)16/h4-9,11-12H,1-3H3/t9?,11-,12-/m0/s1.
What are the key properties of methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate?
methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-methoxy-4-oxo-1-(1-phenylethyl)azetidine-2-carboxylate is sourced from PubChem (CID 100915456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).