2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid

C15H24N2O2 — CID 54908415

IUPAC2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-6-11(2)16-15(3,14(18)19)12-7-9-13(10-8-12)17(4)5/h7-11,16H,6H2,1-5H3,(H,18,19)
InChIKeyVQIBNBBBGZDTBD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.44
Rot. Bonds6

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

2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 54908415) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID54908415
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-6-11(2)16-15(3,14(18)19)12-7-9-13(10-8-12)17(4)5/h7-11,16H,6H2,1-5H3,(H,18,19)
InChIKeyVQIBNBBBGZDTBD-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propan-1-ol
CID 61049003
2-(butan-2-ylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 61024544
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
2-[1-[4-(dimethylamino)phenyl]ethylamino]-2-methylpentanoic acid
CID 65055305

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid (CID 54908415) is 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid is CCC(C)NC(C)(C(=O)O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is VQIBNBBBGZDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-11(2)16-15(3,14(18)19)12-7-9-13(10-8-12)17(4)5/h7-11,16H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid?
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 54908415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).