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

C9H13N3O4 — CID 106107552

IUPAC2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-12-6(3-4-11-12)8(13)10-5-7(16-2)9(14)15/h3-4,7H,5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyXIMDJXSPDLUELY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.75
Rot. Bonds5

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

2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 106107552) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID106107552
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-12-6(3-4-11-12)8(13)10-5-7(16-2)9(14)15/h3-4,7H,5H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyXIMDJXSPDLUELY-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

Analyze 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 110281226
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (CID 106107552) is 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is COC(CNC(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is XIMDJXSPDLUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12-6(3-4-11-12)8(13)10-5-7(16-2)9(14)15/h3-4,7H,5H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
2-methoxy-3-[(2-methylpyrazole-3-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-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).