ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate

C11H23NO3 — CID 106487510

IUPACethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
SMILESCCOC(=O)C(CC)(CN)CCC(C)O
InChIInChI=1S/C11H23NO3/c1-4-11(8-12,7-6-9(3)13)10(14)15-5-2/h9,13H,4-8,12H2,1-3H3
InChIKeyZIIXRSPTJSSZFP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.07
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate

ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate (PubChem CID 106487510) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
PubChem CID106487510
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
SMILESCCOC(=O)C(CC)(CN)CCC(C)O
InChIInChI=1S/C11H23NO3/c1-4-11(8-12,7-6-9(3)13)10(14)15-5-2/h9,13H,4-8,12H2,1-3H3
InChIKeyZIIXRSPTJSSZFP-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
ethyl 2-(aminomethyl)-2-[2-(3-methylbutoxy)ethyl]pentanoate
CID 106488335
ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
CID 106488875
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
ethyl 2,2-bis(sulfanylmethyl)butanoate
CID 87450503
ethyl 2-(aminomethyl)-2-ethyl-6-phenylhexanoate
CID 106487514
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
diethyl 2-(3-fluoropropyl)-2-propan-2-ylpropanedioate
CID 113360273
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one
CID 116603764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate (CID 106487510) is ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate is CCOC(=O)C(CC)(CN)CCC(C)O.
What is the InChIKey of ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate?
The InChIKey is ZIIXRSPTJSSZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-11(8-12,7-6-9(3)13)10(14)15-5-2/h9,13H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate?
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate has a molecular weight of 217.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate is sourced from PubChem (CID 106487510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).