2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid

C12H19N3O3 — CID 61261702

IUPAC2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-7-9(8(2)15(5)14-7)6-10(16)13-12(3,4)11(17)18/h6H2,1-5H3,(H,13,16)(H,17,18)
InChIKeyRSUMFQWGJJNBPW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.56
Rot. Bonds4

About 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 61261702) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID61261702
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-7-9(8(2)15(5)14-7)6-10(16)13-12(3,4)11(17)18/h6H2,1-5H3,(H,13,16)(H,17,18)
InChIKeyRSUMFQWGJJNBPW-UHFFFAOYSA-N
XLogP0.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30212742
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
N-(2,2,2-trifluoroethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 81340103
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111446406
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-[1-(hydroxymethyl)cyclopentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62519330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid (CID 61261702) is 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is Cc1nn(C)c(C)c1CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is RSUMFQWGJJNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-9(8(2)15(5)14-7)6-10(16)13-12(3,4)11(17)18/h6H2,1-5H3,(H,13,16)(H,17,18).
What are the key properties of 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).