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

C9H14FNO6S — CID 168674636

IUPAC(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO6S/c1-5(12)8(9(14)15)11-3-6(2-7(11)13)4-18(10,16)17/h5-6,8,12H,2-4H2,1H3,(H,14,15)/t5-,6?,8-/m0/s1
InChIKeyZQZZWAVFCBHDES-MMFDLBQYSA-N
MW283.28 g/mol
LogP-1.03
Rot. Bonds5

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

(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid (PubChem CID 168674636) has the molecular formula C9H14FNO6S and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
PubChem CID168674636
Molecular FormulaC9H14FNO6S
Molecular Weight283.28 g/mol
Exact Mass283.05
IUPAC Name(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO6S/c1-5(12)8(9(14)15)11-3-6(2-7(11)13)4-18(10,16)17/h5-6,8,12H,2-4H2,1H3,(H,14,15)/t5-,6?,8-/m0/s1
InChIKeyZQZZWAVFCBHDES-MMFDLBQYSA-N
XLogP-1.03
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674619
(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
(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid
CID 168674640
[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,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid (CID 168674636) is (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid is C[C@H](O)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The InChIKey is ZQZZWAVFCBHDES-MMFDLBQYSA-N. The full InChI is InChI=1S/C9H14FNO6S/c1-5(12)8(9(14)15)11-3-6(2-7(11)13)4-18(10,16)17/h5-6,8,12H,2-4H2,1H3,(H,14,15)/t5-,6?,8-/m0/s1.
What are the key properties of (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid has a molecular weight of 283.28 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 168674636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).