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

C8H15NO3 — CID 60702626

IUPAC2-(3-hydroxypiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(8(11)12)9-4-2-3-7(10)5-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyGSVZGNGETOPZSR-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.08
Rot. Bonds2

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

2-(3-hydroxypiperidin-1-yl)propanoic acid (PubChem CID 60702626) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)propanoic acid
PubChem CID60702626
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-hydroxypiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(8(11)12)9-4-2-3-7(10)5-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyGSVZGNGETOPZSR-UHFFFAOYSA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-1-yl-propionic acid
CID 3152951
Methyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 28837753
Ethyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 50988010
2-(3-Hydroxypiperidin-1-yl)propanoic acid; trifluoroacetic acid
CID 137704280
(3-Hydroxy-1,4'-bipiperidin-1'-yl)acetic acid
CID 56707865
3-Hydroxy-2-piperidin-1-ylbutanoic acid
CID 414540
(S)-2-(piperidin-1-yl)propanoic acid
CID 1081500
(2R)-2-piperidin-1-ylpropanoic acid
CID 1081501
Methyl 2-(4-hydroxypiperidin-1-yl)propanoate
CID 19780667
2-(Piperidin-1-yl)butanoic acid
CID 20088715
2-(4-Oxopiperidin-1-yl)propanoic acid
CID 20984998
2-(4-Hydroxypiperidin-1-yl)-3,3-dimethylbutanoic acid
CID 23024145

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)propanoic acid (CID 60702626) is 2-(3-hydroxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)propanoic acid?
The InChIKey is GSVZGNGETOPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(8(11)12)9-4-2-3-7(10)5-9/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)propanoic acid?
2-(3-hydroxypiperidin-1-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.08, 2 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)propanoic acid is sourced from PubChem (CID 60702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).