2-aminobutyl 2-methylpropanoate

C8H17NO2 — CID 123412425

IUPAC2-aminobutyl 2-methylpropanoate
SMILESCCC(N)COC(=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-7(9)5-11-8(10)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyYCJDWVILQNMEES-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds4

About 2-aminobutyl 2-methylpropanoate

2-aminobutyl 2-methylpropanoate (PubChem CID 123412425) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-aminobutyl 2-methylpropanoate.

Molecular Properties

Compound Name2-aminobutyl 2-methylpropanoate
PubChem CID123412425
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-aminobutyl 2-methylpropanoate
SMILESCCC(N)COC(=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-7(9)5-11-8(10)6(2)3/h6-7H,4-5,9H2,1-3H3
InChIKeyYCJDWVILQNMEES-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutyl 2-methylpropanoate?
The IUPAC name of 2-aminobutyl 2-methylpropanoate (CID 123412425) is 2-aminobutyl 2-methylpropanoate.
What is the SMILES notation for 2-aminobutyl 2-methylpropanoate?
The canonical SMILES for 2-aminobutyl 2-methylpropanoate is CCC(N)COC(=O)C(C)C.
What is the InChIKey of 2-aminobutyl 2-methylpropanoate?
The InChIKey is YCJDWVILQNMEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(9)5-11-8(10)6(2)3/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 2-aminobutyl 2-methylpropanoate?
2-aminobutyl 2-methylpropanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutyl 2-methylpropanoate is sourced from PubChem (CID 123412425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).