3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid

C10H19NO3 — CID 79407467

IUPAC3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-9(12)4-6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyRFCHTEXTNDVGKA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds3

About 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid

3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid (PubChem CID 79407467) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
PubChem CID79407467
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-9(12)4-6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyRFCHTEXTNDVGKA-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727
2-methyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoic acid
CID 79414773
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutanoic acid
CID 79407238
2-methyl-3-(4-pyrrolidin-2-ylpiperidin-1-yl)butanoic acid
CID 79414419
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
3-(4-butan-2-ylpiperazin-1-yl)-2-methylbutanoic acid
CID 79407769
cyclopropanol;2-methylpropanoic acid
CID 174792699
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)butanoic acid
CID 79406804
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 79407898

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid (CID 79407467) is 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid is CC(C(=O)O)C(C)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid?
The InChIKey is RFCHTEXTNDVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-9(12)4-6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid?
3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 79407467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).