(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid

C11H20N2O5S — CID 64714429

IUPAC(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c1-8-2-4-12(5-3-8)19(17,18)13-7-9(14)6-10(13)11(15)16/h8-10,14H,2-7H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyCGJPTQWKVZVXJB-UWVGGRQHSA-N
MW292.36 g/mol
LogP-0.52
Rot. Bonds3

About (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 64714429) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID64714429
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c1-8-2-4-12(5-3-8)19(17,18)13-7-9(14)6-10(13)11(15)16/h8-10,14H,2-7H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyCGJPTQWKVZVXJB-UWVGGRQHSA-N
XLogP-0.52
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000977
(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713528
(2S,4R)-4-hydroxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 28783706
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64987540

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 64714429) is (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is CC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CGJPTQWKVZVXJB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8-2-4-12(5-3-8)19(17,18)13-7-9(14)6-10(13)11(15)16/h8-10,14H,2-7H2,1H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).