2-(1H-pyrazole-4-carbonylamino)butanoic acid

C8H11N3O3 — CID 43565646

IUPAC2-(1H-pyrazole-4-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-2-6(8(13)14)11-7(12)5-3-9-10-4-5/h3-4,6H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyWLQCRCHIXJMLLD-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.00
Rot. Bonds4

About 2-(1H-pyrazole-4-carbonylamino)butanoic acid

2-(1H-pyrazole-4-carbonylamino)butanoic acid (PubChem CID 43565646) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(1H-pyrazole-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(1H-pyrazole-4-carbonylamino)butanoic acid
PubChem CID43565646
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(1H-pyrazole-4-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-2-6(8(13)14)11-7(12)5-3-9-10-4-5/h3-4,6H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyWLQCRCHIXJMLLD-UHFFFAOYSA-N
XLogP0.00
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The IUPAC name of 2-(1H-pyrazole-4-carbonylamino)butanoic acid (CID 43565646) is 2-(1H-pyrazole-4-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The canonical SMILES for 2-(1H-pyrazole-4-carbonylamino)butanoic acid is CCC(NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The InChIKey is WLQCRCHIXJMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-6(8(13)14)11-7(12)5-3-9-10-4-5/h3-4,6H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(1H-pyrazole-4-carbonylamino)butanoic acid?
2-(1H-pyrazole-4-carbonylamino)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazole-4-carbonylamino)butanoic acid is sourced from PubChem (CID 43565646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).