(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid

C13H14FNO4 — CID 81283582

IUPAC(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H14FNO4/c1-19-11-7-8(4-5-9(11)14)12(16)15-6-2-3-10(15)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyFDJCSARXVINCFS-SNVBAGLBSA-N
MW267.26 g/mol
LogP1.52
Rot. Bonds3

About (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 81283582) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID81283582
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1F
InChIInChI=1S/C13H14FNO4/c1-19-11-7-8(4-5-9(11)14)12(16)15-6-2-3-10(15)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyFDJCSARXVINCFS-SNVBAGLBSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
(2S)-1-(3-cyano-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 53215729
(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104979945
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
(2R)-1-(4-amino-3-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 78925672
(4-fluoro-3-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81284120
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid (CID 81283582) is (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid is COc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1F.
What is the InChIKey of (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FDJCSARXVINCFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-19-11-7-8(4-5-9(11)14)12(16)15-6-2-3-10(15)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81283582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).