2-ethylhexyl 2-aminoacetate

C10H21NO2 — CID 11608059

IUPAC2-ethylhexyl 2-aminoacetate
SMILESCCCCC(CC)COC(=O)CN
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3
InChIKeyJOCAXHSNGQKZHJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds7

About 2-ethylhexyl 2-aminoacetate

2-ethylhexyl 2-aminoacetate (PubChem CID 11608059) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethylhexyl 2-aminoacetate.

Molecular Properties

Compound Name2-ethylhexyl 2-aminoacetate
PubChem CID11608059
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethylhexyl 2-aminoacetate
SMILESCCCCC(CC)COC(=O)CN
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3
InChIKeyJOCAXHSNGQKZHJ-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-aminoacetate?
The IUPAC name of 2-ethylhexyl 2-aminoacetate (CID 11608059) is 2-ethylhexyl 2-aminoacetate.
What is the SMILES notation for 2-ethylhexyl 2-aminoacetate?
The canonical SMILES for 2-ethylhexyl 2-aminoacetate is CCCCC(CC)COC(=O)CN.
What is the InChIKey of 2-ethylhexyl 2-aminoacetate?
The InChIKey is JOCAXHSNGQKZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-ethylhexyl 2-aminoacetate?
2-ethylhexyl 2-aminoacetate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-aminoacetate is sourced from PubChem (CID 11608059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).