2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid

C15H21NO3 — CID 63919210

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
SMILESCCNC(COc1ccccc1C)(C(=O)O)C1CC1
InChIInChI=1S/C15H21NO3/c1-3-16-15(14(17)18,12-8-9-12)10-19-13-7-5-4-6-11(13)2/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXJSPNWKNAJCZDO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid (PubChem CID 63919210) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
PubChem CID63919210
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
SMILESCCNC(COc1ccccc1C)(C(=O)O)C1CC1
InChIInChI=1S/C15H21NO3/c1-3-16-15(14(17)18,12-8-9-12)10-19-13-7-5-4-6-11(13)2/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXJSPNWKNAJCZDO-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
CID 102983960
2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
CID 63918658
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63920407
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
CID 64814214
2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 63918609
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
CID 63920176
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid (CID 63919210) is 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid is CCNC(COc1ccccc1C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid?
The InChIKey is XJSPNWKNAJCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16-15(14(17)18,12-8-9-12)10-19-13-7-5-4-6-11(13)2/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 63919210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).