4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid

C11H23NO3 — CID 87061140

IUPAC4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
SMILESCCC(C)(CCOC(C)(C)CN)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-11(4,9(13)14)6-7-15-10(2,3)8-12/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyAWAUVNMOSHCQOM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.63
Rot. Bonds7

About 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid

4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid (PubChem CID 87061140) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
PubChem CID87061140
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
SMILESCCC(C)(CCOC(C)(C)CN)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-11(4,9(13)14)6-7-15-10(2,3)8-12/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyAWAUVNMOSHCQOM-UHFFFAOYSA-N
XLogP1.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
2-(2-ethylsulfonylethoxy)-2-methylpropan-1-amine
CID 65053389
N-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]formamide
CID 166659477
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid (CID 87061140) is 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid is CCC(C)(CCOC(C)(C)CN)C(=O)O.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid?
The InChIKey is AWAUVNMOSHCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(4,9(13)14)6-7-15-10(2,3)8-12/h5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid?
4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid is sourced from PubChem (CID 87061140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).