ethyl 3-amino-3-methylbutanoate

C7H15NO2 — CID 11480520

IUPACethyl 3-amino-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)N
InChIInChI=1S/C7H15NO2/c1-4-10-6(9)5-7(2,3)8/h4-5,8H2,1-3H3
InChIKeyCINTWGJQDJSXPJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds3

About ethyl 3-amino-3-methylbutanoate

ethyl 3-amino-3-methylbutanoate (PubChem CID 11480520) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl 3-amino-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-methylbutanoate
PubChem CID11480520
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl 3-amino-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)N
InChIInChI=1S/C7H15NO2/c1-4-10-6(9)5-7(2,3)8/h4-5,8H2,1-3H3
InChIKeyCINTWGJQDJSXPJ-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-methylbutanoate?
The IUPAC name of ethyl 3-amino-3-methylbutanoate (CID 11480520) is ethyl 3-amino-3-methylbutanoate.
What is the SMILES notation for ethyl 3-amino-3-methylbutanoate?
The canonical SMILES for ethyl 3-amino-3-methylbutanoate is CCOC(=O)CC(C)(C)N.
What is the InChIKey of ethyl 3-amino-3-methylbutanoate?
The InChIKey is CINTWGJQDJSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-10-6(9)5-7(2,3)8/h4-5,8H2,1-3H3.
What are the key properties of ethyl 3-amino-3-methylbutanoate?
ethyl 3-amino-3-methylbutanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-methylbutanoate is sourced from PubChem (CID 11480520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).