2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid

C15H24N2O2 — CID 54880722

IUPAC2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-6-17(7-2)15(3,14(18)19)12-8-10-13(11-9-12)16(4)5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyHNRPURFVWQCDSV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds6

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

2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 54880722) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID54880722
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-6-17(7-2)15(3,14(18)19)12-8-10-13(11-9-12)16(4)5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyHNRPURFVWQCDSV-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-(diethylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 43803729
2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63703243
2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
3,3,3-trideuterio-2-[4-(dimethylamino)phenyl]-2-(trideuteriomethyl)propanoic acid
CID 131667761
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid (CID 54880722) is 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid is CCN(CC)C(C)(C(=O)O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is HNRPURFVWQCDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-17(7-2)15(3,14(18)19)12-8-10-13(11-9-12)16(4)5/h8-11H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 54880722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).