3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid

C14H21NO5 — CID 65233872

IUPAC3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
SMILESCCNC(CC(=O)O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-5-15-10(7-14(16)17)9-6-12(19-3)13(20-4)8-11(9)18-2/h6,8,10,15H,5,7H2,1-4H3,(H,16,17)
InChIKeyJGPJHXXWQVPMIH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.84
Rot. Bonds8

About 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid

3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid (PubChem CID 65233872) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
PubChem CID65233872
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
SMILESCCNC(CC(=O)O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-5-15-10(7-14(16)17)9-6-12(19-3)13(20-4)8-11(9)18-2/h6,8,10,15H,5,7H2,1-4H3,(H,16,17)
InChIKeyJGPJHXXWQVPMIH-UHFFFAOYSA-N
XLogP1.84
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
3-(ethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350135
methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
CID 60785844
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368
(3S)-3-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
CID 78947500
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
4-(2,5-dimethoxyphenyl)-3-(ethylamino)-4-hydroxybutanoic acid
CID 82348735
3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 65236587
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid (CID 65233872) is 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid is CCNC(CC(=O)O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid?
The InChIKey is JGPJHXXWQVPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-5-15-10(7-14(16)17)9-6-12(19-3)13(20-4)8-11(9)18-2/h6,8,10,15H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid?
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid has a molecular weight of 283.32 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid is sourced from PubChem (CID 65233872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).