N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

C8H16N2O5 — CID 10443438

IUPACN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-8,10-11,13-15H,2H2,1H3,(H,9,12)/t4-,5-,6-,7-,8?/m1/s1
InChIKeyQUMFEBOJFYZWQR-RTRLPJTCSA-N
MW220.22 g/mol
LogP-3.50
Rot. Bonds2

About N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 10443438) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID10443438
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-8,10-11,13-15H,2H2,1H3,(H,9,12)/t4-,5-,6-,7-,8?/m1/s1
InChIKeyQUMFEBOJFYZWQR-RTRLPJTCSA-N
XLogP-3.50
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 10443438) is N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1C(O)N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is QUMFEBOJFYZWQR-RTRLPJTCSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-8,10-11,13-15H,2H2,1H3,(H,9,12)/t4-,5-,6-,7-,8?/m1/s1.
What are the key properties of N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 220.22 g/mol, XLogP of -3.50, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 10443438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).