(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid

C14H15F2NO2 — CID 122038301

IUPAC(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C/C=C/c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO2/c15-11-6-5-10(9-12(11)16)3-1-7-17-8-2-4-13(17)14(18)19/h1,3,5-6,9,13H,2,4,7-8H2,(H,18,19)/b3-1+/t13-/m1/s1
InChIKeyLIORGAOUNDUTPB-KNVIWWDSSA-N
MW267.28 g/mol
LogP2.53
Rot. Bonds4

About (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038301) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
PubChem CID122038301
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C/C=C/c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO2/c15-11-6-5-10(9-12(11)16)3-1-7-17-8-2-4-13(17)14(18)19/h1,3,5-6,9,13H,2,4,7-8H2,(H,18,19)/b3-1+/t13-/m1/s1
InChIKeyLIORGAOUNDUTPB-KNVIWWDSSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122036670
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 140581488
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
(2S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038870

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid (CID 122038301) is (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C/C=C/c1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LIORGAOUNDUTPB-KNVIWWDSSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-11-6-5-10(9-12(11)16)3-1-7-17-8-2-4-13(17)14(18)19/h1,3,5-6,9,13H,2,4,7-8H2,(H,18,19)/b3-1+/t13-/m1/s1.
What are the key properties of (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).