2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid

C15H22N2O3 — CID 65263467

IUPAC2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-5-7-12(8-6-11)10-17(4)13(18)9-16-15(2,3)14(19)20/h5-8,16H,9-10H2,1-4H3,(H,19,20)
InChIKeyAMRVDLXSARDUNA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds6

About 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid

2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 65263467) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
PubChem CID65263467
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11-5-7-12(8-6-11)10-17(4)13(18)9-16-15(2,3)14(19)20/h5-8,16H,9-10H2,1-4H3,(H,19,20)
InChIKeyAMRVDLXSARDUNA-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263837
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
4-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 166815657
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
methyl (2S)-2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-2-methylpentanoate
CID 95322159
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181103
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78963094
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
(2R)-2-amino-3-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid (CID 65263467) is 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid is Cc1ccc(CN(C)C(=O)CNC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is AMRVDLXSARDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-7-12(8-6-11)10-17(4)13(18)9-16-15(2,3)14(19)20/h5-8,16H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 65263467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).