2-ethylhexyl 3-amino-2-methylpropanoate

C12H25NO2 — CID 62671317

IUPAC2-ethylhexyl 3-amino-2-methylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)CN
InChIInChI=1S/C12H25NO2/c1-4-6-7-11(5-2)9-15-12(14)10(3)8-13/h10-11H,4-9,13H2,1-3H3
InChIKeyFAQTXZSZTRDWNP-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.34
Rot. Bonds8

About 2-ethylhexyl 3-amino-2-methylpropanoate

2-ethylhexyl 3-amino-2-methylpropanoate (PubChem CID 62671317) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethylhexyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-amino-2-methylpropanoate
PubChem CID62671317
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethylhexyl 3-amino-2-methylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)CN
InChIInChI=1S/C12H25NO2/c1-4-6-7-11(5-2)9-15-12(14)10(3)8-13/h10-11H,4-9,13H2,1-3H3
InChIKeyFAQTXZSZTRDWNP-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-amino-2-methylpropanoate?
The IUPAC name of 2-ethylhexyl 3-amino-2-methylpropanoate (CID 62671317) is 2-ethylhexyl 3-amino-2-methylpropanoate.
What is the SMILES notation for 2-ethylhexyl 3-amino-2-methylpropanoate?
The canonical SMILES for 2-ethylhexyl 3-amino-2-methylpropanoate is CCCCC(CC)COC(=O)C(C)CN.
What is the InChIKey of 2-ethylhexyl 3-amino-2-methylpropanoate?
The InChIKey is FAQTXZSZTRDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-11(5-2)9-15-12(14)10(3)8-13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-ethylhexyl 3-amino-2-methylpropanoate?
2-ethylhexyl 3-amino-2-methylpropanoate has a molecular weight of 215.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 62671317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).