(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid

C10H16FNO6S — CID 168674640

IUPAC(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO6S/c1-6(18-2)9(10(14)15)12-4-7(3-8(12)13)5-19(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)/t6-,7?,9+/m1/s1
InChIKeyLUUQJDZTPNKQPB-YUTBPMSOSA-N
MW297.30 g/mol
LogP-0.38
Rot. Bonds6

About (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid

(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid (PubChem CID 168674640) has the molecular formula C10H16FNO6S and a molecular weight of 297.30 g/mol. Its IUPAC name is (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid
PubChem CID168674640
Molecular FormulaC10H16FNO6S
Molecular Weight297.30 g/mol
Exact Mass297.07
IUPAC Name(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO6S/c1-6(18-2)9(10(14)15)12-4-7(3-8(12)13)5-19(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)/t6-,7?,9+/m1/s1
InChIKeyLUUQJDZTPNKQPB-YUTBPMSOSA-N
XLogP-0.38
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674619
(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674636
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674638
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 168674639
[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674641
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674665
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674666
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 168674693
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674694
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 168674697
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 168674710

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid?
The IUPAC name of (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid (CID 168674640) is (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid is CO[C@H](C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid?
The InChIKey is LUUQJDZTPNKQPB-YUTBPMSOSA-N. The full InChI is InChI=1S/C10H16FNO6S/c1-6(18-2)9(10(14)15)12-4-7(3-8(12)13)5-19(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)/t6-,7?,9+/m1/s1.
What are the key properties of (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid?
(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid has a molecular weight of 297.30 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 168674640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).