ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate

C13H18N2O5 — CID 88995426

IUPACethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
SMILESCCOCC(C(=O)OCC)N(O)C(=O)c1ccccn1
InChIInChI=1S/C13H18N2O5/c1-3-19-9-11(13(17)20-4-2)15(18)12(16)10-7-5-6-8-14-10/h5-8,11,18H,3-4,9H2,1-2H3
InChIKeyJEMKIXHGXDSOJE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.88
Rot. Bonds7

About ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate

ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate (PubChem CID 88995426) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
PubChem CID88995426
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
SMILESCCOCC(C(=O)OCC)N(O)C(=O)c1ccccn1
InChIInChI=1S/C13H18N2O5/c1-3-19-9-11(13(17)20-4-2)15(18)12(16)10-7-5-6-8-14-10/h5-8,11,18H,3-4,9H2,1-2H3
InChIKeyJEMKIXHGXDSOJE-UHFFFAOYSA-N
XLogP0.88
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 88995427
ethyl 3-hydroxy-2-[methoxy(pyridine-2-carbonyl)amino]propanoate
CID 88995371
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
N-methylpyridine-2-carbohydrazide
CID 45084309
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate (CID 88995426) is ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate is CCOCC(C(=O)OCC)N(O)C(=O)c1ccccn1.
What is the InChIKey of ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The InChIKey is JEMKIXHGXDSOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-19-9-11(13(17)20-4-2)15(18)12(16)10-7-5-6-8-14-10/h5-8,11,18H,3-4,9H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate has a molecular weight of 282.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 88995426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).