2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 110836972

IUPAC2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1[nH]ncc1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-7(5-11-13-6)4-8(14)12-10(2,3)9(15)16/h5H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKDKWMVKZGHQQQM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds4

About 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 110836972) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID110836972
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1[nH]ncc1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-7(5-11-13-6)4-8(14)12-10(2,3)9(15)16/h5H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyKDKWMVKZGHQQQM-UHFFFAOYSA-N
XLogP0.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid (CID 110836972) is 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid is Cc1[nH]ncc1CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is KDKWMVKZGHQQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(5-11-13-6)4-8(14)12-10(2,3)9(15)16/h5H,4H2,1-3H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).