methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate

C11H14N2O4 — CID 63850703

IUPACmethyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cncc(O)c1
InChIInChI=1S/C11H14N2O4/c1-13(4-3-10(15)17-2)11(16)8-5-9(14)7-12-6-8/h5-7,14H,3-4H2,1-2H3
InChIKeyINOCWIIDQYKKAX-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.42
Rot. Bonds4

About methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate

methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate (PubChem CID 63850703) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
PubChem CID63850703
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cncc(O)c1
InChIInChI=1S/C11H14N2O4/c1-13(4-3-10(15)17-2)11(16)8-5-9(14)7-12-6-8/h5-7,14H,3-4H2,1-2H3
InChIKeyINOCWIIDQYKKAX-UHFFFAOYSA-N
XLogP0.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
methyl 2-[(5-hydroxypyridine-3-carbonyl)-propan-2-ylamino]acetate
CID 63850866
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
CID 63850514
5-hydroxy-N-[(2R)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
CID 167850128
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
methyl 3-[(3-fluoro-5-methylbenzoyl)-methylamino]propanoate
CID 113245544
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate (CID 63850703) is methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1cncc(O)c1.
What is the InChIKey of methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate?
The InChIKey is INOCWIIDQYKKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13(4-3-10(15)17-2)11(16)8-5-9(14)7-12-6-8/h5-7,14H,3-4H2,1-2H3.
What are the key properties of methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate?
methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate has a molecular weight of 238.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 63850703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).