tert-butyl 2-(aminomethyl)-2-ethylbutanoate

C11H23NO2 — CID 54399069

IUPACtert-butyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-8,12H2,1-5H3
InChIKeyVMCLIKGCSSRTJK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl 2-(aminomethyl)-2-ethylbutanoate

tert-butyl 2-(aminomethyl)-2-ethylbutanoate (PubChem CID 54399069) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-2-ethylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-2-ethylbutanoate
PubChem CID54399069
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-8,12H2,1-5H3
InChIKeyVMCLIKGCSSRTJK-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 14882781
Cyclopropanecarboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CID 53407163
Tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 66797588
Methyl 2-(aminomethyl)-2-ethylbutanoate hydrochloride
CID 71756963
Tert-butyl 2-(aminomethyl)butanoate
CID 65220536
Methyl 2-(aminomethyl)-2-ethylbutanoate
CID 62596586
tert-butyl (3R)-3-amino-2,2-diethyl-4,4,4-trifluorobutanoate
CID 140273250
tert-butyl (3S)-3-amino-2,2-diethyl-4,4,4-trifluorobutanoate
CID 140273315
Methyl 2-(aminomethyl)-2-ethyl-3-fluorobutanoate
CID 105436908
Ethyl 2-(aminomethyl)-2-ethylbutanoate hydrochloride
CID 14882782
2-(Azaniumylmethyl)-2-ethylbutanoate
CID 28064306
Ethyl 2-(aminomethyl)-2-methylbutanoate
CID 57969944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-2-ethylbutanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)-2-ethylbutanoate (CID 54399069) is tert-butyl 2-(aminomethyl)-2-ethylbutanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-2-ethylbutanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-2-ethylbutanoate is CCC(CC)(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)-2-ethylbutanoate?
The InChIKey is VMCLIKGCSSRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-8,12H2,1-5H3.
What are the key properties of tert-butyl 2-(aminomethyl)-2-ethylbutanoate?
tert-butyl 2-(aminomethyl)-2-ethylbutanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-2-ethylbutanoate is sourced from PubChem (CID 54399069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).