2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid

C15H23NO4 — CID 43803580

IUPAC2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO4/c1-6-16(7-2)15(3,14(17)18)12-10-11(19-4)8-9-13(12)20-5/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeySIEUKEGHEZGCOY-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.35
Rot. Bonds7

About 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid

2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid (PubChem CID 43803580) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
PubChem CID43803580
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H23NO4/c1-6-16(7-2)15(3,14(17)18)12-10-11(19-4)8-9-13(12)20-5/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeySIEUKEGHEZGCOY-UHFFFAOYSA-N
XLogP2.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid
CID 63703486
2-(2,5-dimethoxyphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 63689078
2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
CID 79053848
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid (CID 43803580) is 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid is CCN(CC)C(C)(C(=O)O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid?
The InChIKey is SIEUKEGHEZGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-16(7-2)15(3,14(17)18)12-10-11(19-4)8-9-13(12)20-5/h8-10H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid?
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 43803580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).