2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid

C9H13N3O4 — CID 106107325

IUPAC2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(13)10-4-7(16-2)9(14)15/h3,5,7H,4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyNMHCGLBZRKOLMP-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.75
Rot. Bonds5

About 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid

2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 106107325) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID106107325
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(13)10-4-7(16-2)9(14)15/h3,5,7H,4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyNMHCGLBZRKOLMP-UHFFFAOYSA-N
XLogP-0.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
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
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
2-[(4-ethoxyphenyl)methyl]-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232040
2-methoxy-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116707258
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 106107325) is 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid is COC(CNC(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is NMHCGLBZRKOLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12-5-6(3-11-12)8(13)10-4-7(16-2)9(14)15/h3,5,7H,4H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).