2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid

C14H19NO2 — CID 170903926

IUPAC2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1ccc(CC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-15(2)12-7-3-10(4-8-12)9-13(14(16)17)11-5-6-11/h3-4,7-8,11,13H,5-6,9H2,1-2H3,(H,16,17)
InChIKeyYHYKWCRWLGLDAF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds5

About 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid

2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 170903926) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID170903926
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1ccc(CC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-15(2)12-7-3-10(4-8-12)9-13(14(16)17)11-5-6-11/h3-4,7-8,11,13H,5-6,9H2,1-2H3,(H,16,17)
InChIKeyYHYKWCRWLGLDAF-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
2-cyclopropyl-3-pyridin-4-ylpropanoic acid
CID 83829716
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
2-(3,4-dimethylcyclohexyl)-3-(4-fluorophenyl)propanoic acid
CID 79418546
(1R)-1-cyclopropyl-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 129389562
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
(2R)-2-(acetylsulfanylmethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 129363581
2-(4-tert-butylphenyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 82141249
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid (CID 170903926) is 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid is CN(C)c1ccc(CC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is YHYKWCRWLGLDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)12-7-3-10(4-8-12)9-13(14(16)17)11-5-6-11/h3-4,7-8,11,13H,5-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid?
2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 170903926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).