3-aminobutyl acetate

C6H13NO2 — CID 20510069

IUPAC3-aminobutyl acetate
SMILESCC(=O)OCCC(C)N
InChIInChI=1S/C6H13NO2/c1-5(7)3-4-9-6(2)8/h5H,3-4,7H2,1-2H3
InChIKeyQLIABFUCGAPTLK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds3

About 3-aminobutyl acetate

3-aminobutyl acetate (PubChem CID 20510069) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-aminobutyl acetate.

Molecular Properties

Compound Name3-aminobutyl acetate
PubChem CID20510069
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-aminobutyl acetate
SMILESCC(=O)OCCC(C)N
InChIInChI=1S/C6H13NO2/c1-5(7)3-4-9-6(2)8/h5H,3-4,7H2,1-2H3
InChIKeyQLIABFUCGAPTLK-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminobutyl acetate?
The IUPAC name of 3-aminobutyl acetate (CID 20510069) is 3-aminobutyl acetate.
What is the SMILES notation for 3-aminobutyl acetate?
The canonical SMILES for 3-aminobutyl acetate is CC(=O)OCCC(C)N.
What is the InChIKey of 3-aminobutyl acetate?
The InChIKey is QLIABFUCGAPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7)3-4-9-6(2)8/h5H,3-4,7H2,1-2H3.
What are the key properties of 3-aminobutyl acetate?
3-aminobutyl acetate has a molecular weight of 131.18 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl acetate is sourced from PubChem (CID 20510069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).