ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate

C13H19NO3 — CID 116684887

IUPACethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-9-14-12(13(16)17-4-2)10-7-5-6-8-11(10)15/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyVWCILOQHARQLLY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate

ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate (PubChem CID 116684887) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
PubChem CID116684887
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-3-9-14-12(13(16)17-4-2)10-7-5-6-8-11(10)15/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyVWCILOQHARQLLY-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-hydroxy-4-methoxyphenyl)-2-(propylamino)acetate
CID 102362132
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
2-(ethylamino)-2-(2-hydroxyphenyl)acetamide
CID 116684884
ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
CID 66190436
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
CID 12508749
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(2-hydroxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 116684995
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate (CID 116684887) is ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1ccccc1O.
What is the InChIKey of ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate?
The InChIKey is VWCILOQHARQLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-9-14-12(13(16)17-4-2)10-7-5-6-8-11(10)15/h5-8,12,14-15H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate?
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 116684887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).