(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C10H17NO7S — CID 61459284

IUPAC(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H17NO7S/c1-2-18-9(13)3-4-19(16,17)11-6-7(12)5-8(11)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyYNAQWADGQWDXIU-MQWKRIRWSA-N
MW295.31 g/mol
LogP-1.21
Rot. Bonds6

About (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61459284) has the molecular formula C10H17NO7S and a molecular weight of 295.31 g/mol. Its IUPAC name is (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61459284
Molecular FormulaC10H17NO7S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC Name(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C10H17NO7S/c1-2-18-9(13)3-4-19(16,17)11-6-7(12)5-8(11)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyYNAQWADGQWDXIU-MQWKRIRWSA-N
XLogP-1.21
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-1-(2-ethoxy-2-oxoethyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999845
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
(2S)-1-(dipropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61143709
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64987540
1-(3-ethoxy-3-oxopropyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070056
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
1-(3-ethoxy-3-oxopropyl)sulfonyl-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831643
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
CID 118992889
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 61459284) is (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is CCOC(=O)CCS(=O)(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YNAQWADGQWDXIU-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H17NO7S/c1-2-18-9(13)3-4-19(16,17)11-6-7(12)5-8(11)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of -1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61459284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).