4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one

C10H20N2O3 — CID 106188976

IUPAC4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
SMILESCC(C)OCC(O)CNC1CNC(=O)C1
InChIInChI=1S/C10H20N2O3/c1-7(2)15-6-9(13)5-11-8-3-10(14)12-4-8/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyLBOLQWJWYBEENU-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.75
Rot. Bonds6

About 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one

4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one (PubChem CID 106188976) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
PubChem CID106188976
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
SMILESCC(C)OCC(O)CNC1CNC(=O)C1
InChIInChI=1S/C10H20N2O3/c1-7(2)15-6-9(13)5-11-8-3-10(14)12-4-8/h7-9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyLBOLQWJWYBEENU-UHFFFAOYSA-N
XLogP-0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
CID 106189128
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62396754

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one (CID 106188976) is 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one is CC(C)OCC(O)CNC1CNC(=O)C1.
What is the InChIKey of 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The InChIKey is LBOLQWJWYBEENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)15-6-9(13)5-11-8-3-10(14)12-4-8/h7-9,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106188976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).