4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid

C11H21NO2 — CID 27351613

IUPAC4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+
InChIKeyKSDSUUGUVYGRHZ-AOOOYVTPSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

About 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid (PubChem CID 27351613) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
PubChem CID27351613
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+
InChIKeyKSDSUUGUVYGRHZ-AOOOYVTPSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid (CID 27351613) is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid is C[C@@H]1CCC[C@H](C)N1CCCC(=O)O.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The InChIKey is KSDSUUGUVYGRHZ-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-3-6-10(2)12(9)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 27351613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).