2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid

C14H21NO3 — CID 71564959

IUPAC2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
SMILESCOCCCNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(13(16)17,15-9-6-10-18-2)11-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyWLNPLEGRMIYJEA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds8

About 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid

2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid (PubChem CID 71564959) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
PubChem CID71564959
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
SMILESCOCCCNC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(13(16)17,15-9-6-10-18-2)11-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyWLNPLEGRMIYJEA-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.70
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-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
CID 114992828
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid (CID 71564959) is 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid is COCCCNC(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid?
The InChIKey is WLNPLEGRMIYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(13(16)17,15-9-6-10-18-2)11-12-7-4-3-5-8-12/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid?
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 71564959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).