2-(3-hydroxypiperidin-1-yl)butanoic acid

C9H17NO3 — CID 60702595

IUPAC2-(3-hydroxypiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-8(9(12)13)10-5-3-4-7(11)6-10/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyTVTRFHVOSUFBBT-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)butanoic acid

2-(3-hydroxypiperidin-1-yl)butanoic acid (PubChem CID 60702595) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)butanoic acid
PubChem CID60702595
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(3-hydroxypiperidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3/c1-2-8(9(12)13)10-5-3-4-7(11)6-10/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyTVTRFHVOSUFBBT-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 50988010
2-(3-Hydroxypiperidin-1-yl)propanoic acid
CID 60702626
2-(4-Fluoropiperidin-1-yl)butanoic acid
CID 121200827
2-(3-Fluoropiperidin-1-yl)butanoic acid
CID 121200856
(2R)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid
CID 129494480
(2R)-2-[(3S)-3-fluoropiperidin-1-yl]butanoic acid
CID 129494481
(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid
CID 129494482
(2S)-2-[(3S)-3-fluoropiperidin-1-yl]butanoic acid
CID 129494483
(2R)-2-(4-fluoropiperidin-1-yl)butanoic acid
CID 129494540
(2S)-2-(4-fluoropiperidin-1-yl)butanoic acid
CID 129494541
2-(3-Hydroxypiperidin-1-yl)propanoic acid; trifluoroacetic acid
CID 137704280
(3-Hydroxy-1,4'-bipiperidin-1'-yl)acetic acid
CID 56707865

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)butanoic acid (CID 60702595) is 2-(3-hydroxypiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)butanoic acid?
The InChIKey is TVTRFHVOSUFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(9(12)13)10-5-3-4-7(11)6-10/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)butanoic acid?
2-(3-hydroxypiperidin-1-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)butanoic acid is sourced from PubChem (CID 60702595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).