(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid

C9H17NO4S — CID 18738434

IUPAC(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid
SMILESC[C@@H](CS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-8(9(11)12)7-15(13,14)10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyAOLXLENYMHDWKR-QMMMGPOBSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds4

About (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid

(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid (PubChem CID 18738434) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid
PubChem CID18738434
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid
SMILESC[C@@H](CS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-8(9(11)12)7-15(13,14)10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyAOLXLENYMHDWKR-QMMMGPOBSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
2-(4,4-Difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 59634308
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 54936614
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 54947178
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60917680
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 65533660
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 65534824
3-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 65535994
1-(3-Fluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 120082415
1-(4-Fluorobutylsulfonyl)piperidine-4-carboxylic acid
CID 121768349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid?
The IUPAC name of (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid (CID 18738434) is (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid?
The canonical SMILES for (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid is C[C@@H](CS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid?
The InChIKey is AOLXLENYMHDWKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-8(9(11)12)7-15(13,14)10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid?
(2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-piperidin-1-ylsulfonylpropanoic acid is sourced from PubChem (CID 18738434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).