3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid

C11H21NO3 — CID 97184538

IUPAC3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid
SMILESCC(C)O[C@H]1CNC[C@@H](CCC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-8(2)15-10-5-9(6-12-7-10)3-4-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyLUXONEWMSJENFQ-VHSXEESVSA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds5

About 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid

3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid (PubChem CID 97184538) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid
PubChem CID97184538
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid
SMILESCC(C)O[C@H]1CNC[C@@H](CCC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-8(2)15-10-5-9(6-12-7-10)3-4-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyLUXONEWMSJENFQ-VHSXEESVSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid
CID 97184533
3-[(3R,5R)-5-methoxypiperidin-3-yl]propanoic acid
CID 97184532
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
2-(5-propan-2-ylpiperidin-3-yl)acetic acid
CID 178113239
N-(azetidin-3-ylmethyl)-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine
CID 171439743
3-[(2S,6R)-1,2,6-trimethylpiperidin-4-yl]propanoic acid
CID 83908252
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[[2-(azetidin-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 64611407
3-(3-aminocyclobutyl)propanoic acid
CID 136574712
azetidin-3-ol;butanedioic acid
CID 175438233
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid (CID 97184538) is 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid is CC(C)O[C@H]1CNC[C@@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid?
The InChIKey is LUXONEWMSJENFQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)15-10-5-9(6-12-7-10)3-4-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid?
3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-5-propan-2-yloxypiperidin-3-yl]propanoic acid is sourced from PubChem (CID 97184538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).