ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate

C12H15NO4 — CID 110481887

IUPACethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C12H15NO4/c1-2-17-12(16)11(15)13-7-6-9-4-3-5-10(14)8-9/h3-5,8,14H,2,6-7H2,1H3,(H,13,15)
InChIKeyNWGSSVDNYVTWCE-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.61
Rot. Bonds4

About ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate

ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate (PubChem CID 110481887) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
PubChem CID110481887
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C12H15NO4/c1-2-17-12(16)11(15)13-7-6-9-4-3-5-10(14)8-9/h3-5,8,14H,2,6-7H2,1H3,(H,13,15)
InChIKeyNWGSSVDNYVTWCE-UHFFFAOYSA-N
XLogP0.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate (CID 110481887) is ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1cccc(O)c1.
What is the InChIKey of ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate?
The InChIKey is NWGSSVDNYVTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-17-12(16)11(15)13-7-6-9-4-3-5-10(14)8-9/h3-5,8,14H,2,6-7H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate has a molecular weight of 237.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 110481887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).