methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate

C10H12N2O4 — CID 63860111

IUPACmethyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cncc(O)c1
InChIInChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-9(14)7-3-8(13)5-11-4-7/h3-6,13H,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyONPUFGXEROJVKT-LURJTMIESA-N
MW224.22 g/mol
LogP0.08
Rot. Bonds3

About methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate

methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate (PubChem CID 63860111) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
PubChem CID63860111
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cncc(O)c1
InChIInChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-9(14)7-3-8(13)5-11-4-7/h3-6,13H,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyONPUFGXEROJVKT-LURJTMIESA-N
XLogP0.08
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 103110784
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 103282636
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
5-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-3-carboxamide
CID 63860622
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725984

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate (CID 63860111) is methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cncc(O)c1.
What is the InChIKey of methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate?
The InChIKey is ONPUFGXEROJVKT-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(10(15)16-2)12-9(14)7-3-8(13)5-11-4-7/h3-6,13H,1-2H3,(H,12,14)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate has a molecular weight of 224.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 63860111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).