(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid

C11H21NO3 — CID 129495909

IUPAC(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-5-9(7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
InChIKeyIDOLDFPMETXVEM-IVZWLZJFSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds4

About (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid

(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid (PubChem CID 129495909) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
PubChem CID129495909
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-5-9(7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1
InChIKeyIDOLDFPMETXVEM-IVZWLZJFSA-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-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-[3-(1,1-difluoroethyl)piperidin-1-yl]butanoic acid
CID 121202512
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
CID 64662613
2-(azocan-1-yl)butanoic acid
CID 43808973
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
CID 121201708
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid (CID 129495909) is (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1CCC[C@@H]([C@H](C)O)C1.
What is the InChIKey of (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid?
The InChIKey is IDOLDFPMETXVEM-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(14)15)12-6-4-5-9(7-12)8(2)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+/m0/s1.
What are the key properties of (2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid?
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-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)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 129495909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).