2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid

C15H23NO2 — CID 114992783

IUPAC2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
SMILESCCN(C(C)C)C(C)(C(=O)O)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-6-16(11(2)3)15(5,14(17)18)13-10-8-7-9-12(13)4/h7-11H,6H2,1-5H3,(H,17,18)
InChIKeyRGNDCQNUHLHTQD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds5

About 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid

2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid (PubChem CID 114992783) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
PubChem CID114992783
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
SMILESCCN(C(C)C)C(C)(C(=O)O)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-6-16(11(2)3)15(5,14(17)18)13-10-8-7-9-12(13)4/h7-11H,6H2,1-5H3,(H,17,18)
InChIKeyRGNDCQNUHLHTQD-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373
2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
CID 43803614
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
2-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119223810
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid
CID 175208086
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 65062015
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
2-(N,2-dimethylanilino)-2-methylpentanoic acid
CID 114992194
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid (CID 114992783) is 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid is CCN(C(C)C)C(C)(C(=O)O)c1ccccc1C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid?
The InChIKey is RGNDCQNUHLHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16(11(2)3)15(5,14(17)18)13-10-8-7-9-12(13)4/h7-11H,6H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid?
2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 114992783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).