4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one

C9H17NO4 — CID 107868454

IUPAC4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(CO)(CO)N1CC(O)CC1=O
InChIInChI=1S/C9H17NO4/c1-2-9(5-11,6-12)10-4-7(13)3-8(10)14/h7,11-13H,2-6H2,1H3
InChIKeySYPSDJCIKSVZBV-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.29
Rot. Bonds4

About 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one

4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one (PubChem CID 107868454) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one
PubChem CID107868454
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(CO)(CO)N1CC(O)CC1=O
InChIInChI=1S/C9H17NO4/c1-2-9(5-11,6-12)10-4-7(13)3-8(10)14/h7,11-13H,2-6H2,1H3
InChIKeySYPSDJCIKSVZBV-UHFFFAOYSA-N
XLogP-1.29
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one (CID 107868454) is 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one is CCC(CO)(CO)N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is SYPSDJCIKSVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-9(5-11,6-12)10-4-7(13)3-8(10)14/h7,11-13H,2-6H2,1H3.
What are the key properties of 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one?
4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 107868454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).