(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid

C7H9N5O3 — CID 135566896

IUPAC(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)N[C@@H](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)/t2-/m1/s1
InChIKeyQSIYONWVWDSRRO-UWTATZPHSA-N
MW211.18 g/mol
LogP-1.36
Rot. Bonds1

About (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid

(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid (PubChem CID 135566896) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
PubChem CID135566896
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
SMILESNc1nc2c(c(=O)[nH]1)N[C@@H](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)/t2-/m1/s1
InChIKeyQSIYONWVWDSRRO-UWTATZPHSA-N
XLogP-1.36
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid?
The IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid (CID 135566896) is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid.
What is the SMILES notation for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid?
The canonical SMILES for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid is Nc1nc2c(c(=O)[nH]1)N[C@@H](C(=O)O)CN2.
What is the InChIKey of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid?
The InChIKey is QSIYONWVWDSRRO-UWTATZPHSA-N. 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)/t2-/m1/s1.
What are the key properties of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid?
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -1.36, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid is sourced from PubChem (CID 135566896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).