(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid

C19H18FNO3 — CID 68614672

IUPAC(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C19H18FNO3/c20-16-3-1-2-14(10-16)5-4-13-6-8-17(9-7-13)21-12-15(19(23)24)11-18(21)22/h1-3,6-10,15H,4-5,11-12H2,(H,23,24)/t15-/m0/s1
InChIKeyURPRHYAMVWSMGD-HNNXBMFYSA-N
MW327.36 g/mol
LogP3.05
Rot. Bonds5

About (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 68614672) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID68614672
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C19H18FNO3/c20-16-3-1-2-14(10-16)5-4-13-6-8-17(9-7-13)21-12-15(19(23)24)11-18(21)22/h1-3,6-10,15H,4-5,11-12H2,(H,23,24)/t15-/m0/s1
InChIKeyURPRHYAMVWSMGD-HNNXBMFYSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
CID 68614864
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336
3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122445928
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
CID 122492399
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 68614672) is (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1.
What is the InChIKey of (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is URPRHYAMVWSMGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-16-3-1-2-14(10-16)5-4-13-6-8-17(9-7-13)21-12-15(19(23)24)11-18(21)22/h1-3,6-10,15H,4-5,11-12H2,(H,23,24)/t15-/m0/s1.
What are the key properties of (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 68614672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).