phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C9H12N3O3P — CID 142067008

IUPACphosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESNc1cc(N)c(=O)n2c1CCC2C(=O)OP
InChIInChI=1S/C9H12N3O3P/c10-4-3-5(11)8(13)12-6(4)1-2-7(12)9(14)15-16/h3,7H,1-2,10-11,16H2
InChIKeyMCCBOWGGFBIKFA-UHFFFAOYSA-N
MW241.19 g/mol
LogP-0.17
Rot. Bonds1

About phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 142067008) has the molecular formula C9H12N3O3P and a molecular weight of 241.19 g/mol. Its IUPAC name is phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namephosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID142067008
Molecular FormulaC9H12N3O3P
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Namephosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESNc1cc(N)c(=O)n2c1CCC2C(=O)OP
InChIInChI=1S/C9H12N3O3P/c10-4-3-5(11)8(13)12-6(4)1-2-7(12)9(14)15-16/h3,7H,1-2,10-11,16H2
InChIKeyMCCBOWGGFBIKFA-UHFFFAOYSA-N
XLogP-0.17
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 142067008) is phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is Nc1cc(N)c(=O)n2c1CCC2C(=O)OP.
What is the InChIKey of phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is MCCBOWGGFBIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O3P/c10-4-3-5(11)8(13)12-6(4)1-2-7(12)9(14)15-16/h3,7H,1-2,10-11,16H2.
What are the key properties of phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 241.19 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 6,8-diamino-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 142067008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).