2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate

C15H23NO4 — CID 106448218

IUPAC2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC(C)COCCOC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO4/c1-11(2)10-19-7-8-20-15(18)14(16)9-12-3-5-13(17)6-4-12/h3-6,11,14,17H,7-10,16H2,1-2H3/t14-/m1/s1
InChIKeyXDYLIOCIKMFKPW-CQSZACIVSA-N
MW281.35 g/mol
LogP1.48
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate

2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 106448218) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID106448218
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC(C)COCCOC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO4/c1-11(2)10-19-7-8-20-15(18)14(16)9-12-3-5-13(17)6-4-12/h3-6,11,14,17H,7-10,16H2,1-2H3/t14-/m1/s1
InChIKeyXDYLIOCIKMFKPW-CQSZACIVSA-N
XLogP1.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.48
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

ethane;3-methylbutyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 142497424
3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 103403094
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 115942247
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 106202712
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 175043872
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 106448218) is 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate is CC(C)COCCOC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is XDYLIOCIKMFKPW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)10-19-7-8-20-15(18)14(16)9-12-3-5-13(17)6-4-12/h3-6,11,14,17H,7-10,16H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate?
2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 106448218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).