2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid

C8H13N3O3 — CID 24905530

IUPAC2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid
SMILESCCCc1cnn(O)c1C(N)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)
InChIKeySSPXLOGHCJIQFQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.16
Rot. Bonds4

About 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid

2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid (PubChem CID 24905530) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid
PubChem CID24905530
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid
SMILESCCCc1cnn(O)c1C(N)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)
InChIKeySSPXLOGHCJIQFQ-UHFFFAOYSA-N
XLogP0.16
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.16
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-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid (CID 24905530) is 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid is CCCc1cnn(O)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid?
The InChIKey is SSPXLOGHCJIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid?
2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-hydroxy-4-propylpyrazol-5-yl)acetic acid is sourced from PubChem (CID 24905530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).