1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 63143059

IUPAC1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c1-14(13(18)19)6-7-16(9-14)12(17)8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyYIBOQHGWMXZLTQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63143059) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63143059
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c1-14(13(18)19)6-7-16(9-14)12(17)8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyYIBOQHGWMXZLTQ-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenoxy)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146320
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
1-[5-(4-fluorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257310
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
1-[2-(2,4-difluorophenyl)sulfanylacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146582
(3S)-1-[2-(2-bromophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698081
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63143059) is 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YIBOQHGWMXZLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(13(18)19)6-7-16(9-14)12(17)8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).