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

C11H14N2O5 — CID 88995509

IUPACethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(CO)N(O)C(=O)c1ccccn1
InChIInChI=1S/C11H14N2O5/c1-2-18-11(16)9(7-14)13(17)10(15)8-5-3-4-6-12-8/h3-6,9,14,17H,2,7H2,1H3
InChIKeyRPCCFUJLJJJSQX-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.16
Rot. Bonds5

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

ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate (PubChem CID 88995509) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
PubChem CID88995509
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(CO)N(O)C(=O)c1ccccn1
InChIInChI=1S/C11H14N2O5/c1-2-18-11(16)9(7-14)13(17)10(15)8-5-3-4-6-12-8/h3-6,9,14,17H,2,7H2,1H3
InChIKeyRPCCFUJLJJJSQX-UHFFFAOYSA-N
XLogP-0.16
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995426
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 88995427
ethyl 3-hydroxy-2-[methoxy(pyridine-2-carbonyl)amino]propanoate
CID 88995371
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
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 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate
CID 59226293
N-methylpyridine-2-carbohydrazide
CID 45084309
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate (CID 88995509) is ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate is CCOC(=O)C(CO)N(O)C(=O)c1ccccn1.
What is the InChIKey of ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
The InChIKey is RPCCFUJLJJJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-18-11(16)9(7-14)13(17)10(15)8-5-3-4-6-12-8/h3-6,9,14,17H,2,7H2,1H3.
What are the key properties of ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate?
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate has a molecular weight of 254.24 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 88995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).