methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate

C16H19FN2O4 — CID 6463976

IUPACmethyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN2O4/c1-23-15(21)9-18-16(22)12-8-14(20)19(10-12)7-6-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,18,22)
InChIKeyPHGHGAVWIUMULY-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.51
Rot. Bonds6

About methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate

methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate (PubChem CID 6463976) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
PubChem CID6463976
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN2O4/c1-23-15(21)9-18-16(22)12-8-14(20)19(10-12)7-6-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,18,22)
InChIKeyPHGHGAVWIUMULY-UHFFFAOYSA-N
XLogP0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

BN-201
CID 66610682
methyl 2-[(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methyl-2-oxo-1,4-diazepan-1-yl]acetate
CID 23647115
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 6497419
N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3612504
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(pentan-2-yl)pyrrolidine-3-carboxamide
CID 6497428
N-(3-isopropoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129842
N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129844
N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129845
N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4245971
N-(cyanomethyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6464015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate (CID 6463976) is methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is PHGHGAVWIUMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-23-15(21)9-18-16(22)12-8-14(20)19(10-12)7-6-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,18,22).
What are the key properties of methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate?
methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 322.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 6463976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).