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

C8H9N5O5 — CID 136676239

IUPAC2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)NC(C(=O)O)C(C(=O)O)N2
InChIInChI=1S/C8H9N5O5/c9-8-12-4-3(5(14)13-8)10-1(6(15)16)2(11-4)7(17)18/h1-2,10H,(H,15,16)(H,17,18)(H4,9,11,12,13,14)
InChIKeyGXSWKZYRUDUNFN-UHFFFAOYSA-N
MW255.19 g/mol
LogP-1.90
Rot. Bonds2

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

2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid (PubChem CID 136676239) has the molecular formula C8H9N5O5 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid
PubChem CID136676239
Molecular FormulaC8H9N5O5
Molecular Weight255.19 g/mol
Exact Mass255.06
IUPAC Name2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)NC(C(=O)O)C(C(=O)O)N2
InChIInChI=1S/C8H9N5O5/c9-8-12-4-3(5(14)13-8)10-1(6(15)16)2(11-4)7(17)18/h1-2,10H,(H,15,16)(H,17,18)(H4,9,11,12,13,14)
InChIKeyGXSWKZYRUDUNFN-UHFFFAOYSA-N
XLogP-1.90
TPSA170.43 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.19
LogP ≤ 5-1.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

6-Carboxy-5,6,7,8-tetrahydropterin
CID 135911925
5,6,7,8-Tetrahydropterin-6-carboxylate
CID 135911924
(6r)-2-Amino-4-Oxo-3,4,5,6,7,8-Hexahydropteridine-6-Carboxylic Acid
CID 135566896
2-(1,4,5,6,7,8-hexahydro-4,7-dioxo-6-pteridinyl) Acetic acid
CID 135755332
(2S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 135860691
2-Amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
CID 136314915
2-Amino-8-methyl-4-oxo-3,5,6,7-tetrahydropteridine-6-carboxylic acid
CID 136316965
2-Amino-4-oxo-3,5,7,8-tetrahydropteridine-6,6-dicarboxylic acid
CID 136676241
(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
CID 136809710
(6S)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridine-6-carboxylic acid
CID 136809711
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methoxybutanoic acid
CID 136958754
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959395

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid?
The IUPAC name of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid (CID 136676239) is 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid?
The canonical SMILES for 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid is Nc1nc2c(c(=O)[nH]1)NC(C(=O)O)C(C(=O)O)N2.
What is the InChIKey of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid?
The InChIKey is GXSWKZYRUDUNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O5/c9-8-12-4-3(5(14)13-8)10-1(6(15)16)2(11-4)7(17)18/h1-2,10H,(H,15,16)(H,17,18)(H4,9,11,12,13,14).
What are the key properties of 2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid?
2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid has a molecular weight of 255.19 g/mol, XLogP of -1.90, 2 rotatable bonds, 6 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-6,7-dicarboxylic acid is sourced from PubChem (CID 136676239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).