methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate

C14H19NO2 — CID 11234448

IUPACmethyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-4-3-5-8-12)15-10-6-9-13(15)14(16)17-2/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyRAKGXTSCJYFBIW-AAEUAGOBSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds3

About methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate (PubChem CID 11234448) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
PubChem CID11234448
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-4-3-5-8-12)15-10-6-9-13(15)14(16)17-2/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyRAKGXTSCJYFBIW-AAEUAGOBSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
methyl (2S)-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 51003072
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
CID 50901624
methyl (2R,4R)-4-(2-nitroanilino)-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
CID 139879467
methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 76664588

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate (CID 11234448) is methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccccc1.
What is the InChIKey of methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate?
The InChIKey is RAKGXTSCJYFBIW-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(12-7-4-3-5-8-12)15-10-6-9-13(15)14(16)17-2/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 11234448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).