2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid

C17H27NO4 — CID 174512911

IUPAC2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
SMILESCCOc1cccc(OCC)c1C(C)C(C)CC(N)C(=O)O
InChIInChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)16(14)12(4)11(3)10-13(18)17(19)20/h7-9,11-13H,5-6,10,18H2,1-4H3,(H,19,20)
InChIKeyGLAZSNFJZFSAID-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.03
Rot. Bonds9

About 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid

2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid (PubChem CID 174512911) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
PubChem CID174512911
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
SMILESCCOc1cccc(OCC)c1C(C)C(C)CC(N)C(=O)O
InChIInChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)16(14)12(4)11(3)10-13(18)17(19)20/h7-9,11-13H,5-6,10,18H2,1-4H3,(H,19,20)
InChIKeyGLAZSNFJZFSAID-UHFFFAOYSA-N
XLogP3.03
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3-(2,3-diethoxyphenyl)propanoic acid
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2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
(2S)-2-(2-ethoxyanilino)propanoic acid
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2-(2-ethoxyphenoxy)propanoic acid
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2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
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2-amino-1-(2-ethoxyphenyl)butan-1-one
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1-(2-chloro-6-ethoxyphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid?
The IUPAC name of 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid (CID 174512911) is 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid.
What is the SMILES notation for 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid?
The canonical SMILES for 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid is CCOc1cccc(OCC)c1C(C)C(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid?
The InChIKey is GLAZSNFJZFSAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)16(14)12(4)11(3)10-13(18)17(19)20/h7-9,11-13H,5-6,10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid?
2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid has a molecular weight of 309.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid is sourced from PubChem (CID 174512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).