2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid

C11H11F2NO2 — CID 82363544

IUPAC2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO2/c12-8-2-1-6(5-9(8)13)10-7(11(15)16)3-4-14-10/h1-2,5,7,10,14H,3-4H2,(H,15,16)
InChIKeyNDRTUTCCSHLJEA-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.70
Rot. Bonds2

About 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid

2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 82363544) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID82363544
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO2/c12-8-2-1-6(5-9(8)13)10-7(11(15)16)3-4-14-10/h1-2,5,7,10,14H,3-4H2,(H,15,16)
InChIKeyNDRTUTCCSHLJEA-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetamido-3-phenylpropanoic acid
CID 3480882
3-Amino-3-(4-fluorophenyl)propanoic acid
CID 579885
(2S,4S)-4-[(2,5-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 9991916
(2S,4S)-4-[(2,3-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 9991917
(4S)-4-[(3-fluorophenyl)methyl]-L-Proline hydrochloride
CID 54584744
3-Acetamido-3-(4-fluorophenyl)propanoic acid
CID 3121001
3-(2-Methylpropanoylamino)-3-phenylpropanoic acid
CID 4245294
(2S,4R)-4-(3-Fluorobenzyl)pyrrolidine-2-carboxylic acid
CID 2761968
(2S,4S)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 54583758
3-Amino-3-(4-fluorophenyl)propanoic acid hydrochloride
CID 2868567
3-[(2-Methylpropyl)amino]-3-phenylpropanoic acid
CID 4916334
4-[(3-Fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 21923351

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid (CID 82363544) is 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCNC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NDRTUTCCSHLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-8-2-1-6(5-9(8)13)10-7(11(15)16)3-4-14-10/h1-2,5,7,10,14H,3-4H2,(H,15,16).
What are the key properties of 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid?
2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 227.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82363544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).