(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid

C13H13F2NO3 — CID 96667389

IUPAC(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c14-9-3-4-10(15)8(6-9)7-12(17)16-5-1-2-11(16)13(18)19/h3-4,6,11H,1-2,5,7H2,(H,18,19)/t11-/m1/s1
InChIKeyNWECKAGQELUQDH-LLVKDONJSA-N
MW269.25 g/mol
LogP1.58
Rot. Bonds3

About (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 96667389) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID96667389
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c14-9-3-4-10(15)8(6-9)7-12(17)16-5-1-2-11(16)13(18)19/h3-4,6,11H,1-2,5,7H2,(H,18,19)/t11-/m1/s1
InChIKeyNWECKAGQELUQDH-LLVKDONJSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124702269
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
(2R)-1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 120537338
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid (CID 96667389) is (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F.
What is the InChIKey of (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NWECKAGQELUQDH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-9-3-4-10(15)8(6-9)7-12(17)16-5-1-2-11(16)13(18)19/h3-4,6,11H,1-2,5,7H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 96667389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).