ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

C15H17F2NO3 — CID 175838067

IUPACethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C15H17F2NO3/c1-2-21-14(20)8-11-6-7-13(19)18(11)9-10-4-3-5-12(16)15(10)17/h3-5,11H,2,6-9H2,1H3
InChIKeyDNDNXNATKSPTMN-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.41
Rot. Bonds5

About ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (PubChem CID 175838067) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
PubChem CID175838067
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C15H17F2NO3/c1-2-21-14(20)8-11-6-7-13(19)18(11)9-10-4-3-5-12(16)15(10)17/h3-5,11H,2,6-9H2,1H3
InChIKeyDNDNXNATKSPTMN-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanylethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838014
methyl 2-[[2-[(2S)-1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]-methylamino]acetate
CID 175838151
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541743
(2S)-2-[[2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 171519952
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 166541754
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838120
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one
CID 42371726
ethyl 4-[(2,3-difluorophenyl)methylamino]butanoate
CID 60720227
2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 175838472
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (CID 175838067) is ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is CCOC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F.
What is the InChIKey of ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is DNDNXNATKSPTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-2-21-14(20)8-11-6-7-13(19)18(11)9-10-4-3-5-12(16)15(10)17/h3-5,11H,2,6-9H2,1H3.
What are the key properties of ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate has a molecular weight of 297.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 175838067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).