methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate

C9H13N3O4 — CID 103879149

IUPACmethyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(14)10-4-7(13)9(15)16-2/h3,5,7,13H,4H2,1-2H3,(H,10,14)
InChIKeyMUWQDGWNEJSJBS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.32
Rot. Bonds4

About methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 103879149) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
PubChem CID103879149
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(14)10-4-7(13)9(15)16-2/h3,5,7,13H,4H2,1-2H3,(H,10,14)
InChIKeyMUWQDGWNEJSJBS-UHFFFAOYSA-N
XLogP-1.32
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate (CID 103879149) is methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1cnn(C)c1.
What is the InChIKey of methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is MUWQDGWNEJSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(14)10-4-7(13)9(15)16-2/h3,5,7,13H,4H2,1-2H3,(H,10,14).
What are the key properties of methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 227.22 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103879149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).