(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid

C11H21NO3 — CID 129445747

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

About (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid

(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid (PubChem CID 129445747) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
PubChem CID129445747
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
SMILESCC[C@@H]1CN([C@H](CC)C(=O)O)CC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-3-8-7-12(6-5-10(8)13)9(4-2)11(14)15/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9-,10+/m1/s1
InChIKeyYLKLAMOUKNEMBF-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-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
CID 126999297
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N,N-dimethylpropanamide
CID 114510876
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 115314252
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
CID 129499913
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid (CID 129445747) is (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid is CC[C@@H]1CN([C@H](CC)C(=O)O)CC[C@@H]1O.
What is the InChIKey of (2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid?
The InChIKey is YLKLAMOUKNEMBF-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-8-7-12(6-5-10(8)13)9(4-2)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)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid?
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic 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)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid is sourced from PubChem (CID 129445747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).