1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C13H26N2O3 — CID 111799224

IUPAC1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(CC(O)CN1CCCC1=O)CC(C)(C)O
InChIInChI=1S/C13H26N2O3/c1-4-14(10-13(2,3)18)8-11(16)9-15-7-5-6-12(15)17/h11,16,18H,4-10H2,1-3H3
InChIKeyFQJCQAMTSATDIM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.06
Rot. Bonds7

About 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111799224) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111799224
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(CC(O)CN1CCCC1=O)CC(C)(C)O
InChIInChI=1S/C13H26N2O3/c1-4-14(10-13(2,3)18)8-11(16)9-15-7-5-6-12(15)17/h11,16,18H,4-10H2,1-3H3
InChIKeyFQJCQAMTSATDIM-UHFFFAOYSA-N
XLogP0.06
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111799224) is 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CCN(CC(O)CN1CCCC1=O)CC(C)(C)O.
What is the InChIKey of 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is FQJCQAMTSATDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-14(10-13(2,3)18)8-11(16)9-15-7-5-6-12(15)17/h11,16,18H,4-10H2,1-3H3.
What are the key properties of 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111799224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).