1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid

C13H14FNO4 — CID 107013584

IUPAC1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(F)cc2O)CC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-7-5-15(6-10(7)13(18)19)12(17)9-3-2-8(14)4-11(9)16/h2-4,7,10,16H,5-6H2,1H3,(H,18,19)
InChIKeyNLPRFUGYWOCBIP-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.32
Rot. Bonds2

About 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 107013584) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID107013584
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(F)cc2O)CC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-7-5-15(6-10(7)13(18)19)12(17)9-3-2-8(14)4-11(9)16/h2-4,7,10,16H,5-6H2,1H3,(H,18,19)
InChIKeyNLPRFUGYWOCBIP-UHFFFAOYSA-N
XLogP1.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
(3S,4S)-1-(6-fluoro-2H-chromene-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112139
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(3S,4S)-1-(2,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085408
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
1-(2-chloro-5-methylsulfanylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720312
4-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63720294
1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228223
4-methyl-1-(2-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63721880
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 107013584) is 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)c2ccc(F)cc2O)CC1C(=O)O.
What is the InChIKey of 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NLPRFUGYWOCBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-7-5-15(6-10(7)13(18)19)12(17)9-3-2-8(14)4-11(9)16/h2-4,7,10,16H,5-6H2,1H3,(H,18,19).
What are the key properties of 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107013584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).