2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide

C8H16N2O4 — CID 18797121

IUPAC2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CC(O)C(O)C(CO)C1
InChIInChI=1S/C8H16N2O4/c9-7(13)3-10-1-5(4-11)8(14)6(12)2-10/h5-6,8,11-12,14H,1-4H2,(H2,9,13)
InChIKeyJQBADARUSLZETE-UHFFFAOYSA-N
MW204.23 g/mol
LogP-2.88
Rot. Bonds3

About 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide

2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 18797121) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID18797121
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CC(O)C(O)C(CO)C1
InChIInChI=1S/C8H16N2O4/c9-7(13)3-10-1-5(4-11)8(14)6(12)2-10/h5-6,8,11-12,14H,1-4H2,(H2,9,13)
InChIKeyJQBADARUSLZETE-UHFFFAOYSA-N
XLogP-2.88
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide (CID 18797121) is 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide is NC(=O)CN1CC(O)C(O)C(CO)C1.
What is the InChIKey of 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is JQBADARUSLZETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-7(13)3-10-1-5(4-11)8(14)6(12)2-10/h5-6,8,11-12,14H,1-4H2,(H2,9,13).
What are the key properties of 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide?
2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 204.23 g/mol, XLogP of -2.88, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 18797121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).