4-amino-3-(1H-pyrazol-5-yl)butanoic acid

C7H11N3O2 — CID 82597943

IUPAC4-amino-3-(1H-pyrazol-5-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O2/c8-4-5(3-7(11)12)6-1-2-9-10-6/h1-2,5H,3-4,8H2,(H,9,10)(H,11,12)
InChIKeyVGPSHJAELSLTAR-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.07
Rot. Bonds4

About 4-amino-3-(1H-pyrazol-5-yl)butanoic acid

4-amino-3-(1H-pyrazol-5-yl)butanoic acid (PubChem CID 82597943) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-3-(1H-pyrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(1H-pyrazol-5-yl)butanoic acid
PubChem CID82597943
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-3-(1H-pyrazol-5-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O2/c8-4-5(3-7(11)12)6-1-2-9-10-6/h1-2,5H,3-4,8H2,(H,9,10)(H,11,12)
InChIKeyVGPSHJAELSLTAR-UHFFFAOYSA-N
XLogP-0.07
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-pyrazol-5-yl)butanoic acid?
The IUPAC name of 4-amino-3-(1H-pyrazol-5-yl)butanoic acid (CID 82597943) is 4-amino-3-(1H-pyrazol-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(1H-pyrazol-5-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(1H-pyrazol-5-yl)butanoic acid is NCC(CC(=O)O)c1ccn[nH]1.
What is the InChIKey of 4-amino-3-(1H-pyrazol-5-yl)butanoic acid?
The InChIKey is VGPSHJAELSLTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-4-5(3-7(11)12)6-1-2-9-10-6/h1-2,5H,3-4,8H2,(H,9,10)(H,11,12).
What are the key properties of 4-amino-3-(1H-pyrazol-5-yl)butanoic acid?
4-amino-3-(1H-pyrazol-5-yl)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-pyrazol-5-yl)butanoic acid is sourced from PubChem (CID 82597943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).