methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate

C11H15F2NO3 — CID 58019138

IUPACmethyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCC[C@H](C(=O)OC)N1C[C@H](C=C(F)F)CC1=O
InChIInChI=1S/C11H15F2NO3/c1-3-8(11(16)17-2)14-6-7(4-9(12)13)5-10(14)15/h4,7-8H,3,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyHNQIQXUUEJYWIT-HTQZYQBOSA-N
MW247.24 g/mol
LogP1.57
Rot. Bonds4

About methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate

methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate (PubChem CID 58019138) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate
PubChem CID58019138
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Namemethyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCC[C@H](C(=O)OC)N1C[C@H](C=C(F)F)CC1=O
InChIInChI=1S/C11H15F2NO3/c1-3-8(11(16)17-2)14-6-7(4-9(12)13)5-10(14)15/h4,7-8H,3,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyHNQIQXUUEJYWIT-HTQZYQBOSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate?
The IUPAC name of methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate (CID 58019138) is methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate.
What is the SMILES notation for methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate?
The canonical SMILES for methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate is CC[C@H](C(=O)OC)N1C[C@H](C=C(F)F)CC1=O.
What is the InChIKey of methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate?
The InChIKey is HNQIQXUUEJYWIT-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-3-8(11(16)17-2)14-6-7(4-9(12)13)5-10(14)15/h4,7-8H,3,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate?
methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate has a molecular weight of 247.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate is sourced from PubChem (CID 58019138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).