(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid

C19H18FNO4 — CID 120978179

IUPAC(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@@H]1C1CC1
InChIInChI=1S/C19H18FNO4/c20-13-5-3-12(4-6-13)16-7-8-17(25-16)18(22)21-9-14(11-1-2-11)15(10-21)19(23)24/h3-8,11,14-15H,1-2,9-10H2,(H,23,24)/t14-,15+/m1/s1
InChIKeyXNDYECKVIDAJNA-CABCVRRESA-N
MW343.35 g/mol
LogP3.27
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978179) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120978179
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@@H]1C1CC1
InChIInChI=1S/C19H18FNO4/c20-13-5-3-12(4-6-13)16-7-8-17(25-16)18(22)21-9-14(11-1-2-11)15(10-21)19(23)24/h3-8,11,14-15H,1-2,9-10H2,(H,23,24)/t14-,15+/m1/s1
InChIKeyXNDYECKVIDAJNA-CABCVRRESA-N
XLogP3.27
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
(3R,4R)-4-cyclopropyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 133124686
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
(3R,4R)-4-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 120979927
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979900

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 120978179) is (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XNDYECKVIDAJNA-CABCVRRESA-N. The full InChI is InChI=1S/C19H18FNO4/c20-13-5-3-12(4-6-13)16-7-8-17(25-16)18(22)21-9-14(11-1-2-11)15(10-21)19(23)24/h3-8,11,14-15H,1-2,9-10H2,(H,23,24)/t14-,15+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).