5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one

C8H15NO5 — CID 67408166

IUPAC5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one
SMILESO=C1CCC([C@@H](O)[C@H](O)[C@@H](O)CO)N1
InChIInChI=1S/C8H15NO5/c10-3-5(11)8(14)7(13)4-1-2-6(12)9-4/h4-5,7-8,10-11,13-14H,1-3H2,(H,9,12)/t4?,5-,7+,8+/m0/s1
InChIKeyKKUOSCCLXIHLKF-YCLCYYAASA-N
MW205.21 g/mol
LogP-2.66
Rot. Bonds4

About 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one

5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one (PubChem CID 67408166) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one
PubChem CID67408166
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one
SMILESO=C1CCC([C@@H](O)[C@H](O)[C@@H](O)CO)N1
InChIInChI=1S/C8H15NO5/c10-3-5(11)8(14)7(13)4-1-2-6(12)9-4/h4-5,7-8,10-11,13-14H,1-3H2,(H,9,12)/t4?,5-,7+,8+/m0/s1
InChIKeyKKUOSCCLXIHLKF-YCLCYYAASA-N
XLogP-2.66
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one?
The IUPAC name of 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one (CID 67408166) is 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one is O=C1CCC([C@@H](O)[C@H](O)[C@@H](O)CO)N1.
What is the InChIKey of 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one?
The InChIKey is KKUOSCCLXIHLKF-YCLCYYAASA-N. The full InChI is InChI=1S/C8H15NO5/c10-3-5(11)8(14)7(13)4-1-2-6(12)9-4/h4-5,7-8,10-11,13-14H,1-3H2,(H,9,12)/t4?,5-,7+,8+/m0/s1.
What are the key properties of 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one?
5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one has a molecular weight of 205.21 g/mol, XLogP of -2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one is sourced from PubChem (CID 67408166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).