ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride

C12H17ClN2O4 — CID 2849237

IUPACethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)c1cncc(O)c1.Cl
InChIInChI=1S/C12H16N2O4.ClH/c1-2-18-11(16)4-3-5-14-12(17)9-6-10(15)8-13-7-9;/h6-8,15H,2-5H2,1H3,(H,14,17);1H
InChIKeyPOBXCAMFHIQAFS-UHFFFAOYSA-N
MW288.73 g/mol
LogP1.28
Rot. Bonds6

About ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride

ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride (PubChem CID 2849237) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride
PubChem CID2849237
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC Nameethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)c1cncc(O)c1.Cl
InChIInChI=1S/C12H16N2O4.ClH/c1-2-18-11(16)4-3-5-14-12(17)9-6-10(15)8-13-7-9;/h6-8,15H,2-5H2,1H3,(H,14,17);1H
InChIKeyPOBXCAMFHIQAFS-UHFFFAOYSA-N
XLogP1.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride?
The IUPAC name of ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride (CID 2849237) is ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride?
The canonical SMILES for ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride is CCOC(=O)CCCNC(=O)c1cncc(O)c1.Cl.
What is the InChIKey of ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride?
The InChIKey is POBXCAMFHIQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4.ClH/c1-2-18-11(16)4-3-5-14-12(17)9-6-10(15)8-13-7-9;/h6-8,15H,2-5H2,1H3,(H,14,17);1H.
What are the key properties of ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride?
ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride has a molecular weight of 288.73 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-hydroxypyridine-3-carbonyl)amino]butanoate;hydrochloride is sourced from PubChem (CID 2849237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).