(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H13NO4 — CID 24851479

IUPAC(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
InChIInChI=1S/C8H13NO4/c10-3-5-8(13)7(12)4-1-2-6(11)9(4)5/h4-5,7-8,10,12-13H,1-3H2/t4-,5-,7+,8-/m1/s1
InChIKeyRMCDHFOYUNBDTB-HXOWADHMSA-N
MW187.19 g/mol
LogP-1.93
Rot. Bonds1

About (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 24851479) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID24851479
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
InChIInChI=1S/C8H13NO4/c10-3-5-8(13)7(12)4-1-2-6(11)9(4)5/h4-5,7-8,10,12-13H,1-3H2/t4-,5-,7+,8-/m1/s1
InChIKeyRMCDHFOYUNBDTB-HXOWADHMSA-N
XLogP-1.93
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(10R)-10-[(3S,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
CID 9998578
(5S,6S,7S,8S)-5-[(1S)-1,2-dihydroxyethyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44424517
(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
CID 101096882
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
6-Hydroxy-5-(hydroxymethyl)tetrahydro-1h-pyrrolizin-3(2h)-one
CID 139953818
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
1,2,6,7-Tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 67342442
1-[(2R,3R,4R,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxobutyl)pyrrolidin-1-yl]butan-1-one
CID 160974367
1-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(2-oxobutyl)pyrrolidin-1-yl]butan-1-one
CID 160974368
(5R,6R,7R,7aR)-5-[(1R)-1,13-dihydroxy-9-oxotridecyl]-6,7-dihydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 10596382
(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11309993
(1R,2S,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11412827

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 24851479) is (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12.
What is the InChIKey of (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is RMCDHFOYUNBDTB-HXOWADHMSA-N. The full InChI is InChI=1S/C8H13NO4/c10-3-5-8(13)7(12)4-1-2-6(11)9(4)5/h4-5,7-8,10,12-13H,1-3H2/t4-,5-,7+,8-/m1/s1.
What are the key properties of (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 187.19 g/mol, XLogP of -1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 24851479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).