(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate

C20H20FNO4 — CID 146496894

IUPAC(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOc1ccc(COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO4/c1-25-17-8-4-15(5-9-17)13-26-20(24)18-10-11-19(23)22(18)12-14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyGNQPKDSIAYEVKK-SFHVURJKSA-N
MW357.38 g/mol
LogP3.07
Rot. Bonds6

About (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate

(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 146496894) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID146496894
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOc1ccc(COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNO4/c1-25-17-8-4-15(5-9-17)13-26-20(24)18-10-11-19(23)22(18)12-14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyGNQPKDSIAYEVKK-SFHVURJKSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 384217
3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazol-2(3H)-one
CID 4920828
(4-Methoxyphenyl)methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 25162384
Benzyl 1-acetyl-2-(4-methoxybenzyl)pyrrolidine-2-carboxylate
CID 46884616
Benzyl 1-acetyl-2-(4-methoxy-3-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylate
CID 46884701
(4Z,10aS)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,6,8,9,10,10a-hexahydropyrrolo[1,2-a][1,4]diazocin-1-one
CID 53356608
(S)-1-[3-(4',5'-difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-benzyl]-5-oxo-pyrrolidine-2-carboxylic acid
CID 58293945
methyl (2S)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 11821439
Cambridge id 6194051
CID 2890173
Cambridge id 6906144
CID 2918539
(2S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10800610
methyl 1-{[4-(2-fluorobenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-L-prolinate
CID 42340008

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate (CID 146496894) is (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate is COc1ccc(COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GNQPKDSIAYEVKK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-25-17-8-4-15(5-9-17)13-26-20(24)18-10-11-19(23)22(18)12-14-2-6-16(21)7-3-14/h2-9,18H,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate?
(4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 146496894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).