1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate

C8H17NO3 — CID 138480036

IUPAC1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate
SMILESCC(=O)OC(C)N(C)C(C)(C)O
InChIInChI=1S/C8H17NO3/c1-6(12-7(2)10)9(5)8(3,4)11/h6,11H,1-5H3
InChIKeyKPLDLKYPJGHLGM-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.56
Rot. Bonds3

About 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate

1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate (PubChem CID 138480036) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate.

Molecular Properties

Compound Name1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate
PubChem CID138480036
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate
SMILESCC(=O)OC(C)N(C)C(C)(C)O
InChIInChI=1S/C8H17NO3/c1-6(12-7(2)10)9(5)8(3,4)11/h6,11H,1-5H3
InChIKeyKPLDLKYPJGHLGM-UHFFFAOYSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate?
The IUPAC name of 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate (CID 138480036) is 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate.
What is the SMILES notation for 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate?
The canonical SMILES for 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate is CC(=O)OC(C)N(C)C(C)(C)O.
What is the InChIKey of 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate?
The InChIKey is KPLDLKYPJGHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(12-7(2)10)9(5)8(3,4)11/h6,11H,1-5H3.
What are the key properties of 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate?
1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate has a molecular weight of 175.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate is sourced from PubChem (CID 138480036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).