methyl 2-(aminomethyl)-2-ethylbutanoate

C8H17NO2 — CID 62596586

IUPACmethyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-8(5-2,6-9)7(10)11-3/h4-6,9H2,1-3H3
InChIKeyRXGSWSNTQIPMFS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-(aminomethyl)-2-ethylbutanoate

methyl 2-(aminomethyl)-2-ethylbutanoate (PubChem CID 62596586) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-ethylbutanoate
PubChem CID62596586
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-8(5-2,6-9)7(10)11-3/h4-6,9H2,1-3H3
InChIKeyRXGSWSNTQIPMFS-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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Related Compounds

Ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 14882781
Tert-butyl 2-(aminomethyl)-2-ethylbutanoate
CID 54399069
Methyl 2-(aminomethyl)-2-ethylbutanoate hydrochloride
CID 71756963
Methyl 2-(aminomethyl)-3,3-dimethylbutanoate hydrochloride
CID 155858403
Ethyl 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoate
CID 83855266
Methyl 2-(aminomethyl)-3-fluoro-2-methylbutanoate
CID 105432092
Methyl 2-(aminomethyl)-2-(fluoromethyl)butanoate
CID 105432094
Methyl 2-(aminomethyl)-3-fluoro-2,3-dimethylbutanoate
CID 105436907
Methyl 2-(aminomethyl)-2-ethyl-3-fluorobutanoate
CID 105436908
Methyl 2-(aminomethyl)-2-(fluoromethyl)pentanoate
CID 105436910
Methyl 2-(aminomethyl)-2-(fluoromethyl)-3-methylbutanoate
CID 105436914
Methyl 2-(aminomethyl)-2-ethyl-3-fluoro-3-methylbutanoate
CID 105445108

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-ethylbutanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-ethylbutanoate (CID 62596586) is methyl 2-(aminomethyl)-2-ethylbutanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-ethylbutanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-ethylbutanoate is CCC(CC)(CN)C(=O)OC.
What is the InChIKey of methyl 2-(aminomethyl)-2-ethylbutanoate?
The InChIKey is RXGSWSNTQIPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(5-2,6-9)7(10)11-3/h4-6,9H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-ethylbutanoate?
methyl 2-(aminomethyl)-2-ethylbutanoate 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 methyl 2-(aminomethyl)-2-ethylbutanoate is sourced from PubChem (CID 62596586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).