(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid

C11H21NO3 — CID 129499913

IUPAC(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
SMILESCCC[C@@H]1CN([C@H](C)C(=O)O)CC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-3-4-9-7-12(6-5-10(9)13)8(2)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9-,10+/m1/s1
InChIKeyKTNSKOAOLKCJIU-BBBLOLIVSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds4

About (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid

(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid (PubChem CID 129499913) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
PubChem CID129499913
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
SMILESCCC[C@@H]1CN([C@H](C)C(=O)O)CC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-3-4-9-7-12(6-5-10(9)13)8(2)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9-,10+/m1/s1
InChIKeyKTNSKOAOLKCJIU-BBBLOLIVSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-hydroxypiperidin-1-yl)-N,N-dimethylpropanamide
CID 114510876
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
CID 129496536
4-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]-4-oxobutanoic acid
CID 129497980
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
CID 126999297
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid (CID 129499913) is (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid is CCC[C@@H]1CN([C@H](C)C(=O)O)CC[C@@H]1O.
What is the InChIKey of (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid?
The InChIKey is KTNSKOAOLKCJIU-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9-7-12(6-5-10(9)13)8(2)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9-,10+/m1/s1.
What are the key properties of (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid?
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 129499913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).