4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid

C10H19NO3 — CID 59843346

IUPAC4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(O)CCC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-11-6-4-8(5-7-11)9(12)2-3-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZEGRMQPONPWYKU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

About 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid

4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid (PubChem CID 59843346) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid
PubChem CID59843346
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid
SMILESCN1CCC(C(O)CCC(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-11-6-4-8(5-7-11)9(12)2-3-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZEGRMQPONPWYKU-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid (CID 59843346) is 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid is CN1CCC(C(O)CCC(=O)O)CC1.
What is the InChIKey of 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid?
The InChIKey is ZEGRMQPONPWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-6-4-8(5-7-11)9(12)2-3-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid?
4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(1-methylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 59843346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).