2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 43170844

IUPAC2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(6(2)13-12-5)4-9(14)11-7(3)10(15)16/h7H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyBDWUNSPKTJMEQQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.16
Rot. Bonds4

About 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 43170844) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID43170844
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(6(2)13-12-5)4-9(14)11-7(3)10(15)16/h7H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyBDWUNSPKTJMEQQ-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid (CID 43170844) is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid is Cc1n[nH]c(C)c1CC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is BDWUNSPKTJMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-8(6(2)13-12-5)4-9(14)11-7(3)10(15)16/h7H,4H2,1-3H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid?
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).