2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid

C8H13N3O2 — CID 55250681

IUPAC2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)cc1CC(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)3-7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyZNQBUYCNGJNQQV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.32
Rot. Bonds3

About 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid

2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 55250681) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
PubChem CID55250681
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1nn(C)cc1CC(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)3-7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyZNQBUYCNGJNQQV-UHFFFAOYSA-N
XLogP-0.32
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid (CID 55250681) is 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid is Cc1nn(C)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is ZNQBUYCNGJNQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(4-11(2)10-5)3-7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid?
2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 55250681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).