(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one

C6H11NO4 — CID 89395311

IUPAC(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C6H11NO4/c8-2-3-6(11)4(9)1-5(10)7-3/h3-4,6,8-9,11H,1-2H2,(H,7,10)/t3-,4-,6-/m1/s1
InChIKeySXQSVIKTOQHXAA-ZMIZWQJLSA-N
MW161.16 g/mol
LogP-2.41
Rot. Bonds1

About (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one

(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one (PubChem CID 89395311) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
PubChem CID89395311
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C6H11NO4/c8-2-3-6(11)4(9)1-5(10)7-3/h3-4,6,8-9,11H,1-2H2,(H,7,10)/t3-,4-,6-/m1/s1
InChIKeySXQSVIKTOQHXAA-ZMIZWQJLSA-N
XLogP-2.41
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 176971027
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one
CID 131201474
3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one
CID 175199406
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
4,5-diethylpyrrolidin-2-one
CID 66107645
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
CID 168925086
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one (CID 89395311) is (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one is O=C1C[C@@H](O)[C@H](O)[C@@H](CO)N1.
What is the InChIKey of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is SXQSVIKTOQHXAA-ZMIZWQJLSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-3-6(11)4(9)1-5(10)7-3/h3-4,6,8-9,11H,1-2H2,(H,7,10)/t3-,4-,6-/m1/s1.
What are the key properties of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one?
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 161.16 g/mol, XLogP of -2.41, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 89395311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).