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

C18H29NO4 — CID 150822289

IUPAC2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
SMILESCCOc1ccc(OCC)c(CCC(C)CC(C)(N)C(=O)O)c1
InChIInChI=1S/C18H29NO4/c1-5-22-15-9-10-16(23-6-2)14(11-15)8-7-13(3)12-18(4,19)17(20)21/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21)
InChIKeyKKEOWBZPMUVYHL-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.24
Rot. Bonds10

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

2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid (PubChem CID 150822289) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
PubChem CID150822289
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
SMILESCCOc1ccc(OCC)c(CCC(C)CC(C)(N)C(=O)O)c1
InChIInChI=1S/C18H29NO4/c1-5-22-15-9-10-16(23-6-2)14(11-15)8-7-13(3)12-18(4,19)17(20)21/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21)
InChIKeyKKEOWBZPMUVYHL-UHFFFAOYSA-N
XLogP3.24
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid
CID 150769283
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228
1-(2,5-diethoxyphenyl)heptan-4-one
CID 83942828
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 151766679
2-amino-3-[2-(cyclopropylmethoxy)-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid
CID 118888007
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid?
The IUPAC name of 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid (CID 150822289) is 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid.
What is the SMILES notation for 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid?
The canonical SMILES for 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid is CCOc1ccc(OCC)c(CCC(C)CC(C)(N)C(=O)O)c1.
What is the InChIKey of 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid?
The InChIKey is KKEOWBZPMUVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-22-15-9-10-16(23-6-2)14(11-15)8-7-13(3)12-18(4,19)17(20)21/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid?
2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid has a molecular weight of 323.43 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid is sourced from PubChem (CID 150822289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).