2-ethylhexyl 2-amino-3-hydroxybutanoate

C12H25NO3 — CID 61302291

IUPAC2-ethylhexyl 2-amino-3-hydroxybutanoate
SMILESCCCCC(CC)COC(=O)C(N)C(C)O
InChIInChI=1S/C12H25NO3/c1-4-6-7-10(5-2)8-16-12(15)11(13)9(3)14/h9-11,14H,4-8,13H2,1-3H3
InChIKeyXDJAGDLYVCWZRR-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.45
Rot. Bonds8

About 2-ethylhexyl 2-amino-3-hydroxybutanoate

2-ethylhexyl 2-amino-3-hydroxybutanoate (PubChem CID 61302291) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethylhexyl 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-amino-3-hydroxybutanoate
PubChem CID61302291
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-ethylhexyl 2-amino-3-hydroxybutanoate
SMILESCCCCC(CC)COC(=O)C(N)C(C)O
InChIInChI=1S/C12H25NO3/c1-4-6-7-10(5-2)8-16-12(15)11(13)9(3)14/h9-11,14H,4-8,13H2,1-3H3
InChIKeyXDJAGDLYVCWZRR-UHFFFAOYSA-N
XLogP1.45
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl 2-aminopropanoate;methanesulfonic acid
CID 137379032
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
[(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

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-amino-3-hydroxybutanoate?
The IUPAC name of 2-ethylhexyl 2-amino-3-hydroxybutanoate (CID 61302291) is 2-ethylhexyl 2-amino-3-hydroxybutanoate.
What is the SMILES notation for 2-ethylhexyl 2-amino-3-hydroxybutanoate?
The canonical SMILES for 2-ethylhexyl 2-amino-3-hydroxybutanoate is CCCCC(CC)COC(=O)C(N)C(C)O.
What is the InChIKey of 2-ethylhexyl 2-amino-3-hydroxybutanoate?
The InChIKey is XDJAGDLYVCWZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-6-7-10(5-2)8-16-12(15)11(13)9(3)14/h9-11,14H,4-8,13H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-amino-3-hydroxybutanoate?
2-ethylhexyl 2-amino-3-hydroxybutanoate has a molecular weight of 231.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 61302291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).