2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid

C15H23NO3 — CID 61002876

IUPAC2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
SMILESCCOc1ccccc1C(C)(NCC(C)C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-19-13-9-7-6-8-12(13)15(4,14(17)18)16-10-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyRCYKWLZFFAZNID-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid

2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid (PubChem CID 61002876) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
PubChem CID61002876
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
SMILESCCOc1ccccc1C(C)(NCC(C)C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-19-13-9-7-6-8-12(13)15(4,14(17)18)16-10-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyRCYKWLZFFAZNID-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid (CID 61002876) is 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid is CCOc1ccccc1C(C)(NCC(C)C)C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid?
The InChIKey is RCYKWLZFFAZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-13-9-7-6-8-12(13)15(4,14(17)18)16-10-11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid?
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid is sourced from PubChem (CID 61002876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).