2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid

C5H7N3O3 — CID 11412520

IUPAC2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1ccnn1O
InChIInChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)
InChIKeyIICRPKTXGWIJCY-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.80
Rot. Bonds2

About 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid

2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid (PubChem CID 11412520) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
PubChem CID11412520
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1ccnn1O
InChIInChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)
InChIKeyIICRPKTXGWIJCY-UHFFFAOYSA-N
XLogP-0.80
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid (CID 11412520) is 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid is NC(C(=O)O)c1ccnn1O.
What is the InChIKey of 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid?
The InChIKey is IICRPKTXGWIJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10).
What are the key properties of 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid?
2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid has a molecular weight of 157.13 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid is sourced from PubChem (CID 11412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).