(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid

C9H14FNO6S — CID 168674841

IUPAC(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid
SMILESCOC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO6S/c1-17-4-7(9(13)14)11-3-6(2-8(11)12)5-18(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyGVFGLXMBCJNYSS-MLWJPKLSSA-N
MW283.28 g/mol
LogP-0.77
Rot. Bonds6

About (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid (PubChem CID 168674841) has the molecular formula C9H14FNO6S and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid
PubChem CID168674841
Molecular FormulaC9H14FNO6S
Molecular Weight283.28 g/mol
Exact Mass283.05
IUPAC Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid
SMILESCOC[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO6S/c1-17-4-7(9(13)14)11-3-6(2-8(11)12)5-18(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyGVFGLXMBCJNYSS-MLWJPKLSSA-N
XLogP-0.77
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid?
The IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid (CID 168674841) is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid.
What is the SMILES notation for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid?
The canonical SMILES for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid is COC[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]-3-methoxypropanoic acid?
The InChIKey is GVFGLXMBCJNYSS-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H14FNO6S/c1-17-4-7(9(13)14)11-3-6(2-8(11)12)5-18(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]-3-methoxypropanoic acid?
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxypropanoic acid is sourced from PubChem (CID 168674841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).