1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid

C15H15F2NO3 — CID 119356871

IUPAC1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO3/c16-11-4-3-8(6-12(11)17)9-7-10(9)14(19)18-5-1-2-13(18)15(20)21/h3-4,6,9-10,13H,1-2,5,7H2,(H,20,21)
InChIKeyYYVDXDZDGCGRRR-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid

1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356871) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119356871
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO3/c16-11-4-3-8(6-12(11)17)9-7-10(9)14(19)18-5-1-2-13(18)15(20)21/h3-4,6,9-10,13H,1-2,5,7H2,(H,20,21)
InChIKeyYYVDXDZDGCGRRR-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
(2R,3R)-1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115873
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
(2R)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125151988
(2R)-1-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125150918
(2R)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125134182
(2S)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125119978
(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
2-[(2S)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetic acid
CID 124868689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid (CID 119356871) is 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YYVDXDZDGCGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c16-11-4-3-8(6-12(11)17)9-7-10(9)14(19)18-5-1-2-13(18)15(20)21/h3-4,6,9-10,13H,1-2,5,7H2,(H,20,21).
What are the key properties of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid?
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).