2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid

C15H22N2O3 — CID 82326707

IUPAC2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCc1ccc(NC(=O)C(C)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10-5-7-13(8-6-10)16-14(18)12(3)17(4)9-11(2)15(19)20/h5-8,11-12H,9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVFNADDRVDSNKRK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.97
Rot. Bonds6

About 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid

2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 82326707) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID82326707
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCc1ccc(NC(=O)C(C)N(C)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10-5-7-13(8-6-10)16-14(18)12(3)17(4)9-11(2)15(19)20/h5-8,11-12H,9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyVFNADDRVDSNKRK-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]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-[[1-(3-bromoanilino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 122120144
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[methyl-[2-(4-methylanilino)-2-oxoacetyl]amino]propanoic acid
CID 62626914
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 54992578
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
CID 90743753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid (CID 82326707) is 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid is Cc1ccc(NC(=O)C(C)N(C)CC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is VFNADDRVDSNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-7-13(8-6-10)16-14(18)12(3)17(4)9-11(2)15(19)20/h5-8,11-12H,9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid?
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 82326707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).