3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 110836645

IUPAC3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyWPMXKZFTOOYWJU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.19
Rot. Bonds5

About 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 110836645) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
PubChem CID110836645
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyWPMXKZFTOOYWJU-UHFFFAOYSA-N
XLogP0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid (CID 110836645) is 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid is Cc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1.
What is the InChIKey of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is WPMXKZFTOOYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110836645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).