2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid

C15H24N2O2 — CID 71564969

IUPAC2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
SMILESCN(C)CCCNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(14(18)19,16-10-7-11-17(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyVQPJTBMLDOQTLZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.61
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid

2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid (PubChem CID 71564969) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
PubChem CID71564969
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
SMILESCN(C)CCCNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(14(18)19,16-10-7-11-17(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyVQPJTBMLDOQTLZ-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
CID 114992828
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2-[4-(dimethylamino)butylamino]-3-methoxy-2-methylpropanoic acid
CID 115002811
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid (CID 71564969) is 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid is CN(C)CCCNC(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is VQPJTBMLDOQTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(14(18)19,16-10-7-11-17(2)3)12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid?
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 264.37 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 71564969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).