methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate

C10H12N2O4 — CID 103879213

IUPACmethyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h2-5,8,13H,6H2,1H3,(H,12,14)
InChIKeyZRWOWFFYJAFMDE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.65
Rot. Bonds4

About methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate

methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate (PubChem CID 103879213) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
PubChem CID103879213
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h2-5,8,13H,6H2,1H3,(H,12,14)
InChIKeyZRWOWFFYJAFMDE-UHFFFAOYSA-N
XLogP-0.65
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
CID 21058132
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate (CID 103879213) is methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate is COC(=O)C(O)CNC(=O)c1cccnc1.
What is the InChIKey of methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate?
The InChIKey is ZRWOWFFYJAFMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-10(15)8(13)6-12-9(14)7-3-2-4-11-5-7/h2-5,8,13H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate?
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate has a molecular weight of 224.22 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 103879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).