methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate

C12H19N3O3 — CID 60727791

IUPACmethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C12H19N3O3/c1-8-7-9(2)15(14-8)6-5-11(16)13-10(3)12(17)18-4/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyRMKITSAUVYVIIS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.57
Rot. Bonds5

About methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate

methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate (PubChem CID 60727791) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
PubChem CID60727791
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C12H19N3O3/c1-8-7-9(2)15(14-8)6-5-11(16)13-10(3)12(17)18-4/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyRMKITSAUVYVIIS-UHFFFAOYSA-N
XLogP0.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The IUPAC name of methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate (CID 60727791) is methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate is COC(=O)C(C)NC(=O)CCn1nc(C)cc1C.
What is the InChIKey of methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
The InChIKey is RMKITSAUVYVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-7-9(2)15(14-8)6-5-11(16)13-10(3)12(17)18-4/h7,10H,5-6H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate?
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate is sourced from PubChem (CID 60727791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).