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

C15H24N2O2 — CID 155421471

IUPAC2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
SMILESCc1ccc(CN(C)CCCN(C)CC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)11-16(2)9-4-10-17(3)12-15(18)19/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyIHRHSZLWSMKAKP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds8

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

2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid (PubChem CID 155421471) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
PubChem CID155421471
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
SMILESCc1ccc(CN(C)CCCN(C)CC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)11-16(2)9-4-10-17(3)12-15(18)19/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyIHRHSZLWSMKAKP-UHFFFAOYSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic 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

6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid (CID 155421471) is 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid is Cc1ccc(CN(C)CCCN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid?
The InChIKey is IHRHSZLWSMKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-5-7-14(8-6-13)11-16(2)9-4-10-17(3)12-15(18)19/h5-8H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid?
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid has a molecular weight of 264.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid is sourced from PubChem (CID 155421471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).