(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one

C7H13NO5 — CID 44566015

IUPAC(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@@H](O)[C@H](O)[C@H](O)CN1CCO
InChIInChI=1S/C7H13NO5/c9-2-1-8-3-4(10)5(11)6(12)7(8)13/h4-6,9-12H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyMBGGPRYWVLDPIW-PBXRRBTRSA-N
MW191.18 g/mol
LogP-3.10
Rot. Bonds2

About (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one

(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one (PubChem CID 44566015) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
PubChem CID44566015
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1[C@@H](O)[C@H](O)[C@H](O)CN1CCO
InChIInChI=1S/C7H13NO5/c9-2-1-8-3-4(10)5(11)6(12)7(8)13/h4-6,9-12H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyMBGGPRYWVLDPIW-PBXRRBTRSA-N
XLogP-3.10
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-3.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 123921476
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756
(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
CID 101481394
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
(3aR,7aR)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98050631
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
2-cyclopentyl-5-hydroxy-3-(2-hydroxyethyl)-4,5-dihydropyrimidin-6-one
CID 123937642
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
1-(2-hydroxyethyl)-2-methylpyrrolidine-3,4-diol
CID 130143959

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one (CID 44566015) is (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one is O=C1[C@@H](O)[C@H](O)[C@H](O)CN1CCO.
What is the InChIKey of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is MBGGPRYWVLDPIW-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H13NO5/c9-2-1-8-3-4(10)5(11)6(12)7(8)13/h4-6,9-12H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one?
(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 191.18 g/mol, XLogP of -3.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 44566015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).