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

C16H18FNO3 — CID 63719780

IUPAC1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CC1C(=O)O
InChIInChI=1S/C16H18FNO3/c1-10-8-18(9-13(10)14(19)20)15(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20)
InChIKeyMHHNPUPTJYLDRH-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.04
Rot. Bonds3

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

1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719780) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719780
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CC1C(=O)O
InChIInChI=1S/C16H18FNO3/c1-10-8-18(9-13(10)14(19)20)15(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20)
InChIKeyMHHNPUPTJYLDRH-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3159590
Spiro-carboxamide scaffold, 7
CID 44143293
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-cyclopropyl-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885861
(3S,4R)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 2762094
1-[(Tert-butoxy)carbonyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 44607703
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 44828612
(+-)-trans-N-Boc-4-phenylpyrrolidine-3-carboxylic acid
CID 45925968
(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
CID 155387694
rac-(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
CID 165907879
1-[2-(2-Fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 53574750
1-(4-fluorophenyl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 56820349
(3S*,4R*)-1-(2-azepan-1-yl-2-oxoethyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70728879

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63719780) is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C2(c3ccc(F)cc3)CC2)CC1C(=O)O.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MHHNPUPTJYLDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10-8-18(9-13(10)14(19)20)15(21)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).