2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one

C11H22N2O2 — CID 105467976

IUPAC2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(N)CCN1OC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O2/c1-8(12)5-6-13-10(14)7-9(15-13)11(2,3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyPIGGBUPQAZEREU-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.30
Rot. Bonds3

About 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one

2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one (PubChem CID 105467976) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one
PubChem CID105467976
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(N)CCN1OC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O2/c1-8(12)5-6-13-10(14)7-9(15-13)11(2,3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyPIGGBUPQAZEREU-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
CID 105452159
4-(3-aminobutyl)morpholine-3,5-dione
CID 61314093
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one
CID 105465353
1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
CID 116981578
2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
CID 105494586
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
CID 79937575
2-(3-aminopropyl)-5-ethyl-1,2-oxazolidin-3-one
CID 105435153
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one (CID 105467976) is 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one is CC(N)CCN1OC(C(C)(C)C)CC1=O.
What is the InChIKey of 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The InChIKey is PIGGBUPQAZEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12)5-6-13-10(14)7-9(15-13)11(2,3)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one?
2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one has a molecular weight of 214.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105467976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).