1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid

C18H18FNO4 — CID 119354766

IUPAC1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1
InChIInChI=1S/C18H18FNO4/c19-15-4-2-1-3-14(15)16-7-5-13(24-16)6-8-17(21)20-10-9-12(11-20)18(22)23/h1-5,7,12H,6,8-11H2,(H,22,23)
InChIKeyXKBRHVHNQPUCOQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid

1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354766) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354766
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1
InChIInChI=1S/C18H18FNO4/c19-15-4-2-1-3-14(15)16-7-5-13(24-16)6-8-17(21)20-10-9-12(11-20)18(22)23/h1-5,7,12H,6,8-11H2,(H,22,23)
InChIKeyXKBRHVHNQPUCOQ-UHFFFAOYSA-N
XLogP2.95
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
CID 9490010
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
CID 119646062
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229769
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 9108423
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid (CID 119354766) is 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1.
What is the InChIKey of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XKBRHVHNQPUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-15-4-2-1-3-14(15)16-7-5-13(24-16)6-8-17(21)20-10-9-12(11-20)18(22)23/h1-5,7,12H,6,8-11H2,(H,22,23).
What are the key properties of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid?
1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).