2-amino-2-(1H-pyrazol-5-yl)propanoic acid

C6H9N3O2 — CID 22326352

IUPAC2-amino-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLGNBMFQZXFLZAE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds2

About 2-amino-2-(1H-pyrazol-5-yl)propanoic acid

2-amino-2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 22326352) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID22326352
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLGNBMFQZXFLZAE-UHFFFAOYSA-N
XLogP-0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-2-(1H-pyrazol-5-yl)propanoic acid (CID 22326352) is 2-amino-2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(1H-pyrazol-5-yl)propanoic acid is CC(N)(C(=O)O)c1ccn[nH]1.
What is the InChIKey of 2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is LGNBMFQZXFLZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-3-8-9-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-amino-2-(1H-pyrazol-5-yl)propanoic acid?
2-amino-2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 22326352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).