2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate

C15H23NO4 — CID 115942247

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC(C)(C)OCCOC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-9-8-19-14(18)13(16)10-11-4-6-12(17)7-5-11/h4-7,13,17H,8-10,16H2,1-3H3
InChIKeyKCAYIVVWKPKCMZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.62
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate

2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 115942247) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID115942247
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC(C)(C)OCCOC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-9-8-19-14(18)13(16)10-11-4-6-12(17)7-5-11/h4-7,13,17H,8-10,16H2,1-3H3
InChIKeyKCAYIVVWKPKCMZ-UHFFFAOYSA-N
XLogP1.62
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 106448218
2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 106202712
ethane;3-methylbutyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 142497424
2-aminopropan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 139681701
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 103403094
but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 175043872
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate (CID 115942247) is 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate is CC(C)(C)OCCOC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is KCAYIVVWKPKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-9-8-19-14(18)13(16)10-11-4-6-12(17)7-5-11/h4-7,13,17H,8-10,16H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 115942247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).