2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone

C13H26N2O2 — CID 71918035

IUPAC2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(C)N(CC(=O)N1CCCC1)CC(C)(C)O
InChIInChI=1S/C13H26N2O2/c1-11(2)15(10-13(3,4)17)9-12(16)14-7-5-6-8-14/h11,17H,5-10H2,1-4H3
InChIKeyOVQZLZDUXVSDJT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone

2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 71918035) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone
PubChem CID71918035
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(C)N(CC(=O)N1CCCC1)CC(C)(C)O
InChIInChI=1S/C13H26N2O2/c1-11(2)15(10-13(3,4)17)9-12(16)14-7-5-6-8-14/h11,17H,5-10H2,1-4H3
InChIKeyOVQZLZDUXVSDJT-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone (CID 71918035) is 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone is CC(C)N(CC(=O)N1CCCC1)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is OVQZLZDUXVSDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15(10-13(3,4)17)9-12(16)14-7-5-6-8-14/h11,17H,5-10H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 242.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-propan-2-ylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71918035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).