2-ethylhexyl 2-amino-2-methylbutanoate

C13H27NO2 — CID 79799240

IUPAC2-ethylhexyl 2-amino-2-methylbutanoate
SMILESCCCCC(CC)COC(=O)C(C)(N)CC
InChIInChI=1S/C13H27NO2/c1-5-8-9-11(6-2)10-16-12(15)13(4,14)7-3/h11H,5-10,14H2,1-4H3
InChIKeyGVAKOLSNUBCDIZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.87
Rot. Bonds8

About 2-ethylhexyl 2-amino-2-methylbutanoate

2-ethylhexyl 2-amino-2-methylbutanoate (PubChem CID 79799240) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethylhexyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-amino-2-methylbutanoate
PubChem CID79799240
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethylhexyl 2-amino-2-methylbutanoate
SMILESCCCCC(CC)COC(=O)C(C)(N)CC
InChIInChI=1S/C13H27NO2/c1-5-8-9-11(6-2)10-16-12(15)13(4,14)7-3/h11H,5-10,14H2,1-4H3
InChIKeyGVAKOLSNUBCDIZ-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-(2-ethylhexyl) 3-O-hexadecyl 2,2-dimethylpropanedioate
CID 91714525
2-ethylhexyl 2,2,4,4-tetramethylpentanoate
CID 88906717
2-ethylhexyl (Z)-2-ethyl-2-methylpent-3-enoate
CID 88901213
2-ethylhexyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 87194850
2-ethylhexyl 2-methylbutanoate
CID 3023949
bis(2-ethylhexyl) carbonate;2,2-dimethylbutane-1,1-diol
CID 160953382
2-ethylhexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 14598735
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021572
[(2S)-2-ethylhexyl] 2-methylbutan-2-yloxy carbonate
CID 98090545
2-ethylhexyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate
CID 90910622

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-amino-2-methylbutanoate?
The IUPAC name of 2-ethylhexyl 2-amino-2-methylbutanoate (CID 79799240) is 2-ethylhexyl 2-amino-2-methylbutanoate.
What is the SMILES notation for 2-ethylhexyl 2-amino-2-methylbutanoate?
The canonical SMILES for 2-ethylhexyl 2-amino-2-methylbutanoate is CCCCC(CC)COC(=O)C(C)(N)CC.
What is the InChIKey of 2-ethylhexyl 2-amino-2-methylbutanoate?
The InChIKey is GVAKOLSNUBCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-8-9-11(6-2)10-16-12(15)13(4,14)7-3/h11H,5-10,14H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-amino-2-methylbutanoate?
2-ethylhexyl 2-amino-2-methylbutanoate has a molecular weight of 229.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).