2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid

C7H11N3O3 — CID 10954230

IUPAC2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid
SMILESCc1cnn(O)c1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-4-3-9-10(13)6(4)2-5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
InChIKeyJBHAHSIRWPCXDE-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.62
Rot. Bonds3

About 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid

2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid (PubChem CID 10954230) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid
PubChem CID10954230
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid
SMILESCc1cnn(O)c1CC(N)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-4-3-9-10(13)6(4)2-5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
InChIKeyJBHAHSIRWPCXDE-UHFFFAOYSA-N
XLogP-0.62
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.62
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-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid (CID 10954230) is 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid is Cc1cnn(O)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid?
The InChIKey is JBHAHSIRWPCXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-3-9-10(13)6(4)2-5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid?
2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-hydroxy-4-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 10954230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).