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

C17H27NO4 — CID 151267584

IUPAC2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid
SMILESCCOc1cccc(OCC)c1CC(C)CC(C)(N)C(=O)O
InChIInChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)13(14)10-12(3)11-17(4,18)16(19)20/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,20)
InChIKeyNVRBMQBXDYYPLY-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds9

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

2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid (PubChem CID 151267584) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid
PubChem CID151267584
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid
SMILESCCOc1cccc(OCC)c1CC(C)CC(C)(N)C(=O)O
InChIInChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)13(14)10-12(3)11-17(4,18)16(19)20/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,20)
InChIKeyNVRBMQBXDYYPLY-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
CID 150822289
2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid
CID 150769283
2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 151689905
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 151193828
1-(2-ethoxy-6-methoxyphenyl)propan-2-ol
CID 117300607
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
CID 150425613
2-(aminomethyl)-7-(2,6-diethoxyphenyl)-4-methylheptanoic acid
CID 69268091
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid (CID 151267584) is 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid is CCOc1cccc(OCC)c1CC(C)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid?
The InChIKey is NVRBMQBXDYYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-21-14-8-7-9-15(22-6-2)13(14)10-12(3)11-17(4,18)16(19)20/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid?
2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 2.85, 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)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 151267584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).