3-[tert-butyl(2-phenylpropyl)amino]propanoic acid

C16H25NO2 — CID 65058523

IUPAC3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
SMILESCC(CN(CCC(=O)O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(14-8-6-5-7-9-14)12-17(16(2,3)4)11-10-15(18)19/h5-9,13H,10-12H2,1-4H3,(H,18,19)
InChIKeyUXNFOHFBMYHOIK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid

3-[tert-butyl(2-phenylpropyl)amino]propanoic acid (PubChem CID 65058523) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
PubChem CID65058523
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
SMILESCC(CN(CCC(=O)O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(14-8-6-5-7-9-14)12-17(16(2,3)4)11-10-15(18)19/h5-9,13H,10-12H2,1-4H3,(H,18,19)
InChIKeyUXNFOHFBMYHOIK-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
2-[2-carboxyethyl(1-phenylethyl)amino]-3-methylbutanoic acid
CID 82328445
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[(2,3-difluorophenyl)methyl-(2-phenylpropyl)amino]propanoic acid
CID 167881605
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
4-[[[(2S)-1-hydroxypropan-2-yl]-(2-phenylpropyl)carbamoyl]amino]butanoic acid
CID 122022375
3-[tert-butyl-[2-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 63061615
3-[1-(3-bromophenyl)ethyl-tert-butylamino]propanoic acid
CID 65058848
3-[[2-[2-(1-phenylethylcarbamoyl)phenyl]benzoyl]-(2-phenylpropyl)amino]propanoic acid
CID 69430275

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid (CID 65058523) is 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid is CC(CN(CCC(=O)O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid?
The InChIKey is UXNFOHFBMYHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(14-8-6-5-7-9-14)12-17(16(2,3)4)11-10-15(18)19/h5-9,13H,10-12H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid?
3-[tert-butyl(2-phenylpropyl)amino]propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(2-phenylpropyl)amino]propanoic acid is sourced from PubChem (CID 65058523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).