1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid

C14H18FNO3 — CID 82216732

IUPAC1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(O)CN2CCCC2C(=O)O)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9-7-10(4-5-11(9)15)13(17)8-16-6-2-3-12(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyLPRIMJXFVQYPFF-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid

1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid (PubChem CID 82216732) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
PubChem CID82216732
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(O)CN2CCCC2C(=O)O)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9-7-10(4-5-11(9)15)13(17)8-16-6-2-3-12(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyLPRIMJXFVQYPFF-UHFFFAOYSA-N
XLogP1.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216330
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
1-[2-hydroxy-2-(3-nitrophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82215983
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[2-hydroxy-2-[4-(2-methylprop-2-enoxy)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 82216432
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 82116875
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
CID 122038316
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid (CID 82216732) is 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid is Cc1cc(C(O)CN2CCCC2C(=O)O)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LPRIMJXFVQYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-7-10(4-5-11(9)15)13(17)8-16-6-2-3-12(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82216732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).