2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid

C15H24N2O2 — CID 115256315

IUPAC2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
SMILESCNC(CNCC(C)(C)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)15(2,3)10-17-9-13(16-4)14(18)19/h5-8,13,16-17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUFRSUQMJRKXMAL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.53
Rot. Bonds7

About 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid

2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid (PubChem CID 115256315) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
PubChem CID115256315
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
SMILESCNC(CNCC(C)(C)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)15(2,3)10-17-9-13(16-4)14(18)19/h5-8,13,16-17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUFRSUQMJRKXMAL-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115241899
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115218819
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
CID 115250146
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid (CID 115256315) is 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid is CNC(CNCC(C)(C)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid?
The InChIKey is UFRSUQMJRKXMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-7-12(8-6-11)15(2,3)10-17-9-13(16-4)14(18)19/h5-8,13,16-17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid?
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid is sourced from PubChem (CID 115256315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).