1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

C14H18FNO3 — CID 65071230

IUPAC1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(F)cc1O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-9(11-5-4-10(15)8-12(11)17)16-7-3-6-14(16,2)13(18)19/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyHSYAUZJOJLHQDA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid

1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65071230) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65071230
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(F)cc1O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-9(11-5-4-10(15)8-12(11)17)16-7-3-6-14(16,2)13(18)19/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyHSYAUZJOJLHQDA-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071323
1-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599257
1-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpiperidine-2-carboxylic acid
CID 104599079
1-[1-(2-bromophenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071123
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
CID 65070819
2-[1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-5-fluorophenol
CID 82979712
1-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071128
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
1-[1-(2,4-dihydroxyphenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068577
1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine-2-carboxylic acid
CID 144826536

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid (CID 65071230) is 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is CC(c1ccc(F)cc1O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HSYAUZJOJLHQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(11-5-4-10(15)8-12(11)17)16-7-3-6-14(16,2)13(18)19/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).