ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate

C13H18N2O4 — CID 107735006

IUPACethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C13H18N2O4/c1-3-15(9-6-5-7-10(16)8-9)12(17)11(14)13(18)19-4-2/h5-8,11,16H,3-4,14H2,1-2H3
InChIKeyOWVIBDGXDFCZAD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.64
Rot. Bonds5

About ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate

ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate (PubChem CID 107735006) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
PubChem CID107735006
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C13H18N2O4/c1-3-15(9-6-5-7-10(16)8-9)12(17)11(14)13(18)19-4-2/h5-8,11,16H,3-4,14H2,1-2H3
InChIKeyOWVIBDGXDFCZAD-UHFFFAOYSA-N
XLogP0.64
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
CID 107734856
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
CID 107734150
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
CID 107734862
(2S)-2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methylsulfanylbutanamide
CID 107734972
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate?
The IUPAC name of ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate (CID 107735006) is ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate.
What is the SMILES notation for ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate?
The canonical SMILES for ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate is CCOC(=O)C(N)C(=O)N(CC)c1cccc(O)c1.
What is the InChIKey of ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate?
The InChIKey is OWVIBDGXDFCZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15(9-6-5-7-10(16)8-9)12(17)11(14)13(18)19-4-2/h5-8,11,16H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate?
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate has a molecular weight of 266.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate is sourced from PubChem (CID 107735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).