3-[(1-methylpyrazol-4-yl)amino]propanoic acid

C7H11N3O2 — CID 79770197

IUPAC3-[(1-methylpyrazol-4-yl)amino]propanoic acid
SMILESCn1cc(NCCC(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-10-5-6(4-9-10)8-3-2-7(11)12/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyWGYZGVOXVOBBJF-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.31
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)amino]propanoic acid

3-[(1-methylpyrazol-4-yl)amino]propanoic acid (PubChem CID 79770197) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]propanoic acid
PubChem CID79770197
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]propanoic acid
SMILESCn1cc(NCCC(=O)O)cn1
InChIInChI=1S/C7H11N3O2/c1-10-5-6(4-9-10)8-3-2-7(11)12/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyWGYZGVOXVOBBJF-UHFFFAOYSA-N
XLogP0.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]propanoic acid (CID 79770197) is 3-[(1-methylpyrazol-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]propanoic acid is Cn1cc(NCCC(=O)O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]propanoic acid?
The InChIKey is WGYZGVOXVOBBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-5-6(4-9-10)8-3-2-7(11)12/h4-5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]propanoic acid?
3-[(1-methylpyrazol-4-yl)amino]propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]propanoic acid is sourced from PubChem (CID 79770197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).