3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid

C15H23NO3 — CID 112590567

IUPAC3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
SMILESCC(C)(C)OCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-12-11-16(10-9-14(17)18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyVDOHOXZSNHIMLV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds7

About 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid

3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid (PubChem CID 112590567) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
PubChem CID112590567
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
SMILESCC(C)(C)OCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-12-11-16(10-9-14(17)18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyVDOHOXZSNHIMLV-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 115942878
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
3-(N-(2-hydroxy-3-methoxypropyl)anilino)propanoic acid
CID 63930935
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
3-[N-(cyanomethyl)anilino]propanoic acid
CID 60839584
3-[N-[(2,6-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839248
3-[N-(3,3-dimethylbutyl)-4-methylanilino]propanoic acid
CID 54925474
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825

Frequently Asked Questions

What is the IUPAC name of 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The IUPAC name of 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid (CID 112590567) is 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid.
What is the SMILES notation for 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The canonical SMILES for 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid is CC(C)(C)OCCN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The InChIKey is VDOHOXZSNHIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-12-11-16(10-9-14(17)18)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18).
What are the key properties of 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid is sourced from PubChem (CID 112590567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).