3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid

C10H19NO3 — CID 129497995

IUPAC3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
SMILESCC[C@@H]1CN(CCC(=O)O)CC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyHMMIRNLBVNLRDJ-BDAKNGLRSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

About 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid

3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid (PubChem CID 129497995) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
PubChem CID129497995
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
SMILESCC[C@@H]1CN(CCC(=O)O)CC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyHMMIRNLBVNLRDJ-BDAKNGLRSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
CID 114511182
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071
3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
N-ethyl-2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114510921
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid (CID 129497995) is 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid is CC[C@@H]1CN(CCC(=O)O)CC[C@@H]1O.
What is the InChIKey of 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid?
The InChIKey is HMMIRNLBVNLRDJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid?
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid is sourced from PubChem (CID 129497995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).