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

C15H24N2O3 — CID 115942878

IUPAC3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
SMILESCC(C)(C)OCCN(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-11-10-17(9-8-14(18)19)13-7-5-4-6-12(13)16/h4-7H,8-11,16H2,1-3H3,(H,18,19)
InChIKeyPLGPEZOOUUZSAK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.37
Rot. Bonds7

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

3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid (PubChem CID 115942878) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
PubChem CID115942878
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
SMILESCC(C)(C)OCCN(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-11-10-17(9-8-14(18)19)13-7-5-4-6-12(13)16/h4-7H,8-11,16H2,1-3H3,(H,18,19)
InChIKeyPLGPEZOOUUZSAK-UHFFFAOYSA-N
XLogP2.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 112590567
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
3-[2-amino-N-(5-hydroxypentyl)anilino]propanoic acid
CID 63118452
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
3-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)propanoic acid
CID 103017880
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
3-(2-amino-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 63118493

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The IUPAC name of 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid (CID 115942878) is 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid.
What is the SMILES notation for 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The canonical SMILES for 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid is CC(C)(C)OCCN(CCC(=O)O)c1ccccc1N.
What is the InChIKey of 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
The InChIKey is PLGPEZOOUUZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-11-10-17(9-8-14(18)19)13-7-5-4-6-12(13)16/h4-7H,8-11,16H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid?
3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid is sourced from PubChem (CID 115942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).