2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate

C7H8N5O3- — CID 135911924

IUPAC2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate
SMILESNc1nc2c(c(=O)[nH]1)NC(C(=O)[O-])CN2
InChIInChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/p-1
InChIKeyQSIYONWVWDSRRO-UHFFFAOYSA-M
MW210.17 g/mol
LogP-2.69
Rot. Bonds1

About 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate

2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate (PubChem CID 135911924) has the molecular formula C7H8N5O3- and a molecular weight of 210.17 g/mol. Its IUPAC name is 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate.

Molecular Properties

Compound Name2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate
PubChem CID135911924
Molecular FormulaC7H8N5O3-
Molecular Weight210.17 g/mol
Exact Mass210.06
IUPAC Name2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate
SMILESNc1nc2c(c(=O)[nH]1)NC(C(=O)[O-])CN2
InChIInChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/p-1
InChIKeyQSIYONWVWDSRRO-UHFFFAOYSA-M
XLogP-2.69
TPSA135.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate?
The IUPAC name of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate (CID 135911924) is 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate.
What is the SMILES notation for 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate?
The canonical SMILES for 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate is Nc1nc2c(c(=O)[nH]1)NC(C(=O)[O-])CN2.
What is the InChIKey of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate?
The InChIKey is QSIYONWVWDSRRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/p-1.
What are the key properties of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate?
2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate has a molecular weight of 210.17 g/mol, XLogP of -2.69, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylate is sourced from PubChem (CID 135911924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).