2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid

C10H19NO4 — CID 81096611

IUPAC2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
SMILESCC1(O)CCN(CC(C)(O)C(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-9(14)3-5-11(6-4-9)7-10(2,15)8(12)13/h14-15H,3-7H2,1-2H3,(H,12,13)
InChIKeyHSYLLFQWQSTHSU-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.33
Rot. Bonds3

About 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid

2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid (PubChem CID 81096611) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
PubChem CID81096611
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
SMILESCC1(O)CCN(CC(C)(O)C(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-9(14)3-5-11(6-4-9)7-10(2,15)8(12)13/h14-15H,3-7H2,1-2H3,(H,12,13)
InChIKeyHSYLLFQWQSTHSU-UHFFFAOYSA-N
XLogP-0.33
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid (CID 81096611) is 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid is CC1(O)CCN(CC(C)(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid?
The InChIKey is HSYLLFQWQSTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(14)3-5-11(6-4-9)7-10(2,15)8(12)13/h14-15H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid?
2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 81096611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).