3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid

C12H14FNO2 — CID 175474650

IUPAC3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C2)ccc1F
InChIInChI=1S/C12H14FNO2/c1-8-6-9(2-3-11(8)13)10-4-5-14(7-10)12(15)16/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyIKLUHMWPWMYFDK-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.60
Rot. Bonds1

About 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid

3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid (PubChem CID 175474650) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
PubChem CID175474650
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C2)ccc1F
InChIInChI=1S/C12H14FNO2/c1-8-6-9(2-3-11(8)13)10-4-5-14(7-10)12(15)16/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyIKLUHMWPWMYFDK-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-carboxy-3-fluorophenyl)piperidine-1-carboxylic acid
CID 91485111
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
5-[3-(3,4-difluorophenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 167824467
3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid
CID 91546423
tert-butyl N-cyclopropyl-N-[2-[3-(4-fluoro-3-methylphenyl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 176582506
4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-fluoro-3-methylphenyl)piperidine-1-carboxylic acid
CID 87626821
3-[4-methyl-3-(trifluoromethylsulfonylamino)phenyl]piperidine-1-carboxylic acid
CID 18448491
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
CID 166143852
(3R)-3-(4-chloro-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 173469704

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid (CID 175474650) is 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid is Cc1cc(C2CCN(C(=O)O)C2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IKLUHMWPWMYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-6-9(2-3-11(8)13)10-4-5-14(7-10)12(15)16/h2-3,6,10H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid?
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175474650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).