ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate

C13H19NO4 — CID 54921188

IUPACethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C13H19NO4/c1-4-18-13(16)8-14-9(2)11-7-10(17-3)5-6-12(11)15/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyCVVQSTMWHPUPLE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate

ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate (PubChem CID 54921188) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
PubChem CID54921188
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C13H19NO4/c1-4-18-13(16)8-14-9(2)11-7-10(17-3)5-6-12(11)15/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyCVVQSTMWHPUPLE-UHFFFAOYSA-N
XLogP1.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115900760
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
CID 79548207
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
CID 113429395
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate (CID 54921188) is ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate is CCOC(=O)CNC(C)c1cc(OC)ccc1O.
What is the InChIKey of ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate?
The InChIKey is CVVQSTMWHPUPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-13(16)8-14-9(2)11-7-10(17-3)5-6-12(11)15/h5-7,9,14-15H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate?
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 54921188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).