2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid

C8H13N3O2 — CID 106209172

IUPAC2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5(7-3-9-10-4-7)11-6(2)8(12)13/h3-6,11H,1-2H3,(H,9,10)(H,12,13)
InChIKeyGHXRDECDUNOFSF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.53
Rot. Bonds4

About 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid

2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid (PubChem CID 106209172) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid
PubChem CID106209172
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5(7-3-9-10-4-7)11-6(2)8(12)13/h3-6,11H,1-2H3,(H,9,10)(H,12,13)
InChIKeyGHXRDECDUNOFSF-UHFFFAOYSA-N
XLogP0.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid (CID 106209172) is 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid is CC(NC(C)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid?
The InChIKey is GHXRDECDUNOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(7-3-9-10-4-7)11-6(2)8(12)13/h3-6,11H,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid?
2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-4-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106209172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).