4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid

C11H23NO3 — CID 88969016

IUPAC4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
SMILESCCC(C)(CCC(=O)O)OCC(C)(C)N
InChIInChI=1S/C11H23NO3/c1-5-11(4,7-6-9(13)14)15-8-10(2,3)12/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyMQJQDLITXRZLSD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.77
Rot. Bonds7

About 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid

4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid (PubChem CID 88969016) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
PubChem CID88969016
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
SMILESCCC(C)(CCC(=O)O)OCC(C)(C)N
InChIInChI=1S/C11H23NO3/c1-5-11(4,7-6-9(13)14)15-8-10(2,3)12/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyMQJQDLITXRZLSD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-methylpentanoic acid
CID 158438218
5,5-diethoxyhexanoic acid
CID 174569404
4,4-dimethylhexanoic acid
CID 12563914
4,4-bis(3-methyloctan-3-ylperoxy)pentanoic acid
CID 175700520
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
CID 165493841
2-[3-(2-amino-2-methylpropoxy)-3-methylbutoxy]acetic acid
CID 160561756
4-methyl-4-phosphorosohexanoic acid
CID 174865443
4-(3-methylpentan-3-yloxy)-4-oxobutanoic acid
CID 90399404
(3-ethoxy-3-methylpentyl) hydrogen carbonate
CID 161219559
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
1-aminopropane-1,1-diol;butanedioic acid
CID 175193728

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid (CID 88969016) is 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid is CCC(C)(CCC(=O)O)OCC(C)(C)N.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid?
The InChIKey is MQJQDLITXRZLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(4,7-6-9(13)14)15-8-10(2,3)12/h5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid?
4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid is sourced from PubChem (CID 88969016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).