methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate

C11H18N4O4 — CID 107211589

IUPACmethyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C11H18N4O4/c1-6-10(12)7(2)15(14-6)5-9(17)13-4-8(16)11(18)19-3/h8,16H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyUFYVVADGELVADR-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.27
Rot. Bonds5

About methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate (PubChem CID 107211589) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
PubChem CID107211589
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Namemethyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C11H18N4O4/c1-6-10(12)7(2)15(14-6)5-9(17)13-4-8(16)11(18)19-3/h8,16H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyUFYVVADGELVADR-UHFFFAOYSA-N
XLogP-1.27
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 106347767
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 113472630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate (CID 107211589) is methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate?
The InChIKey is UFYVVADGELVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-6-10(12)7(2)15(14-6)5-9(17)13-4-8(16)11(18)19-3/h8,16H,4-5,12H2,1-3H3,(H,13,17).
What are the key properties of methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate has a molecular weight of 270.29 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 107211589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).