3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid

C9H13N3O3 — CID 84678253

IUPAC3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1cnn2c1OCCC2
InChIInChI=1S/C9H13N3O3/c10-4-6(9(13)14)7-5-11-12-2-1-3-15-8(7)12/h5-6H,1-4,10H2,(H,13,14)
InChIKeyRZXOSLUEPCNVOQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid

3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid (PubChem CID 84678253) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid
PubChem CID84678253
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1cnn2c1OCCC2
InChIInChI=1S/C9H13N3O3/c10-4-6(9(13)14)7-5-11-12-2-1-3-15-8(7)12/h5-6H,1-4,10H2,(H,13,14)
InChIKeyRZXOSLUEPCNVOQ-UHFFFAOYSA-N
XLogP-0.21
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid?
The IUPAC name of 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid (CID 84678253) is 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid is NCC(C(=O)O)c1cnn2c1OCCC2.
What is the InChIKey of 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid?
The InChIKey is RZXOSLUEPCNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-4-6(9(13)14)7-5-11-12-2-1-3-15-8(7)12/h5-6H,1-4,10H2,(H,13,14).
What are the key properties of 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid?
3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propanoic acid is sourced from PubChem (CID 84678253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).