(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid

C10H17NO5S — CID 103953818

IUPAC(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
SMILESCC(C(=O)N1CCCC[C@@H]1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-7(17(2,15)16)9(12)11-6-4-3-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyOUSDAXIDOJRHRK-BRFYHDHCSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds3

About (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid

(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 103953818) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
PubChem CID103953818
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
SMILESCC(C(=O)N1CCCC[C@@H]1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-7(17(2,15)16)9(12)11-6-4-3-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyOUSDAXIDOJRHRK-BRFYHDHCSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
CID 103513364
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 104520556
(2R)-1-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 79034494
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid (CID 103953818) is (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid is CC(C(=O)N1CCCC[C@@H]1C(=O)O)S(C)(=O)=O.
What is the InChIKey of (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is OUSDAXIDOJRHRK-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-7(17(2,15)16)9(12)11-6-4-3-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7?,8-/m1/s1.
What are the key properties of (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid?
(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 103953818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).