methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate

C13H17NO2 — CID 21308203

IUPACmethyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-9-8-12(14)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyFMYIXIBSKQXTLX-RWANSRKNSA-N
MW219.28 g/mol
LogP1.99
Rot. Bonds3

About methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate

methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate (PubChem CID 21308203) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
PubChem CID21308203
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-9-8-12(14)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyFMYIXIBSKQXTLX-RWANSRKNSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 76664588
methyl (2R,4R)-4-(2-nitroanilino)-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
CID 139879467
methyl 1-[1-(5-chlorothiophen-2-yl)ethyl]azetidine-2-carboxylate
CID 112581265
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
tert-butyl (2S,4R)-4-(2-methoxy-2-oxoethyl)-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
CID 135010289

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate?
The IUPAC name of methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate (CID 21308203) is methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate?
The canonical SMILES for methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate is COC(=O)C1CCN1[C@H](C)c1ccccc1.
What is the InChIKey of methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate?
The InChIKey is FMYIXIBSKQXTLX-RWANSRKNSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-6-4-3-5-7-11)14-9-8-12(14)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate?
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate is sourced from PubChem (CID 21308203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).