3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one

C7H14N2O2 — CID 145346224

IUPAC3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(N)N1C(=O)OCC1(C)C
InChIInChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-4-7(9,2)3/h5H,4,8H2,1-3H3
InChIKeyNZBNLTGHXNRHCY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.52
Rot. Bonds1

About 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one

3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 145346224) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID145346224
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(N)N1C(=O)OCC1(C)C
InChIInChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-4-7(9,2)3/h5H,4,8H2,1-3H3
InChIKeyNZBNLTGHXNRHCY-UHFFFAOYSA-N
XLogP0.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one (CID 145346224) is 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one is CC(N)N1C(=O)OCC1(C)C.
What is the InChIKey of 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is NZBNLTGHXNRHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-4-7(9,2)3/h5H,4,8H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one?
3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 145346224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).