3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid

C11H21NO4S — CID 62217499

IUPAC3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
SMILESCC(C)S(=O)(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9(2)17(15,16)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyDQZZTDPVOIHKAZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds5

About 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid

3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid (PubChem CID 62217499) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
PubChem CID62217499
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
SMILESCC(C)S(=O)(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9(2)17(15,16)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyDQZZTDPVOIHKAZ-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid (CID 62217499) is 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid is CC(C)S(=O)(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid?
The InChIKey is DQZZTDPVOIHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)17(15,16)12-7-5-10(6-8-12)3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid?
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62217499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).