methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

C14H18FNO2 — CID 97184677

IUPACmethyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(F)CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c1-11(12-6-4-3-5-7-12)16-9-8-14(15,10-16)13(17)18-2/h3-7,11H,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyAQVQMPFPMLZLHT-BXUZGUMPSA-N
MW251.30 g/mol
LogP2.33
Rot. Bonds3

About methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (PubChem CID 97184677) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
PubChem CID97184677
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(F)CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c1-11(12-6-4-3-5-7-12)16-9-8-14(15,10-16)13(17)18-2/h3-7,11H,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyAQVQMPFPMLZLHT-BXUZGUMPSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 169407977
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
dimethyl 2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dicarboxylate
CID 10615591
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
bis[4-(methylaminomethyl)-1-(1-phenylethyl)piperidin-4-yl] oxalate
CID 57281314
methyl (1S,5R)-5-(methoxymethyl)-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 90166249
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017
dimethyl 8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-1,5-dicarboxylate
CID 101492863
dimethyl 1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4,4-dicarboxylate
CID 46854256
[5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl] acetate
CID 22417117
2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
CID 117013320
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate (CID 97184677) is methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is COC(=O)[C@@]1(F)CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
The InChIKey is AQVQMPFPMLZLHT-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(12-6-4-3-5-7-12)16-9-8-14(15,10-16)13(17)18-2/h3-7,11H,8-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate?
methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 97184677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).