(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid

C10H17NO6S — CID 81120444

IUPAC(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyWVWKWWYHASACGS-BRFYHDHCSA-N
MW279.31 g/mol
LogP-0.33
Rot. Bonds4

About (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid

(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 81120444) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID81120444
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m1/s1
InChIKeyWVWKWWYHASACGS-BRFYHDHCSA-N
XLogP-0.33
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
CID 61459472
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
methyl 2-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 103976029
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
methyl (3S)-1-(difluoromethylsulfonyl)piperidine-3-carboxylate
CID 79032540
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid (CID 81120444) is (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid is COC(=O)C(C)S(=O)(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is WVWKWWYHASACGS-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-7(10(14)17-2)18(15,16)11-5-3-4-8(6-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m1/s1.
What are the key properties of (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid?
(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 81120444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).