3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid

C16H24N2O3 — CID 62834411

IUPAC3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid
SMILESCCNC(C)(C)C(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-17-16(3,4)15(21)18(11-10-14(19)20)13-9-7-6-8-12(13)2/h6-9,17H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyQNRXJXVFWLZBSB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.19
Rot. Bonds7

About 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid

3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid (PubChem CID 62834411) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid
PubChem CID62834411
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid
SMILESCCNC(C)(C)C(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C16H24N2O3/c1-5-17-16(3,4)15(21)18(11-10-14(19)20)13-9-7-6-8-12(13)2/h6-9,17H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyQNRXJXVFWLZBSB-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-(2,2-dimethylpropylcarbamoyl)-2-methylanilino]propanoic acid
CID 61209422
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-(N-(2-tert-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60831636
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
CID 62590215
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
3-[2-methyl-N-(pentan-3-ylcarbamoyl)anilino]propanoic acid
CID 61188137
3-(N-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylanilino)propanoic acid
CID 104553144
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
CID 55096511
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
3-[N-(1-methoxypropan-2-ylcarbamoyl)-2-methylanilino]propanoic acid
CID 61183120

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid?
The IUPAC name of 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid (CID 62834411) is 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid.
What is the SMILES notation for 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid?
The canonical SMILES for 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid is CCNC(C)(C)C(=O)N(CCC(=O)O)c1ccccc1C.
What is the InChIKey of 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid?
The InChIKey is QNRXJXVFWLZBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-17-16(3,4)15(21)18(11-10-14(19)20)13-9-7-6-8-12(13)2/h6-9,17H,5,10-11H2,1-4H3,(H,19,20).
What are the key properties of 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid?
3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid is sourced from PubChem (CID 62834411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).