ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate

C11H23NO3 — CID 106488843

IUPACethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
SMILESCCOC(=O)C(CN)(COC)CC(C)C
InChIInChI=1S/C11H23NO3/c1-5-15-10(13)11(7-12,8-14-4)6-9(2)3/h9H,5-8,12H2,1-4H3
InChIKeyVCKKGGIUNWXMFD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.19
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate

ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate (PubChem CID 106488843) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
PubChem CID106488843
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
SMILESCCOC(=O)C(CN)(COC)CC(C)C
InChIInChI=1S/C11H23NO3/c1-5-15-10(13)11(7-12,8-14-4)6-9(2)3/h9H,5-8,12H2,1-4H3
InChIKeyVCKKGGIUNWXMFD-UHFFFAOYSA-N
XLogP1.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
CID 106488875
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870
ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 23297176
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
CID 106487510
ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
(3-hydroxy-2,2,4-trimethylpentyl) 2-ethyl-4-methyl-2-(2-methylpropyl)pentanoate
CID 88641434
ethyl 2,2-difluoro-3-hydroxy-3,5-dimethylhexanoate
CID 62398575
ethyl 2-(aminomethyl)-4-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate (CID 106488843) is ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate is CCOC(=O)C(CN)(COC)CC(C)C.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate?
The InChIKey is VCKKGGIUNWXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-15-10(13)11(7-12,8-14-4)6-9(2)3/h9H,5-8,12H2,1-4H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate?
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate is sourced from PubChem (CID 106488843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).