(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

C9H14FNO5S — CID 168674826

IUPAC(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-2-7(9(13)14)11-4-6(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyJNXHKDQSWJFWGM-MLWJPKLSSA-N
MW267.28 g/mol
LogP-0.00
Rot. Bonds5

About (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 168674826) has the molecular formula C9H14FNO5S and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID168674826
Molecular FormulaC9H14FNO5S
Molecular Weight267.28 g/mol
Exact Mass267.06
IUPAC Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-2-7(9(13)14)11-4-6(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyJNXHKDQSWJFWGM-MLWJPKLSSA-N
XLogP-0.00
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 168674826) is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is JNXHKDQSWJFWGM-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H14FNO5S/c1-2-7(9(13)14)11-4-6(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 168674826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).