3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid

C18H29NO2 — CID 65058328

IUPAC3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
SMILESCCc1ccc(C(CC)N(CCC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-14-8-10-15(11-9-14)16(7-2)19(18(3,4)5)13-12-17(20)21/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,21)
InChIKeyMVPDQAZHUBDTKY-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.28
Rot. Bonds7

About 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid

3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid (PubChem CID 65058328) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
PubChem CID65058328
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
SMILESCCc1ccc(C(CC)N(CCC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-6-14-8-10-15(11-9-14)16(7-2)19(18(3,4)5)13-12-17(20)21/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,21)
InChIKeyMVPDQAZHUBDTKY-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
CID 65063117
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
3-[tert-butyl(1-phenylbutan-2-yl)amino]propanoic acid
CID 79008332
3-[[cyano-(4-ethylphenyl)methyl]-methylamino]propanoic acid
CID 84757783
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
3-[1-(4-bromophenyl)propyl-methylamino]propanoic acid
CID 65062958
3-[tert-butyl-[1-(3,4-dichlorophenyl)ethyl]amino]propanoic acid
CID 65058470
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297591
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
CID 65055646

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid (CID 65058328) is 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid is CCc1ccc(C(CC)N(CCC(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid?
The InChIKey is MVPDQAZHUBDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-14-8-10-15(11-9-14)16(7-2)19(18(3,4)5)13-12-17(20)21/h8-11,16H,6-7,12-13H2,1-5H3,(H,20,21).
What are the key properties of 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid?
3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid has a molecular weight of 291.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid is sourced from PubChem (CID 65058328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).