2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid

C9H8N6O4 — CID 136846152

IUPAC2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid
SMILESNc1nc2nc(C(=O)NCC(=O)O)cnc2c(=O)[nH]1
InChIInChI=1S/C9H8N6O4/c10-9-14-6-5(8(19)15-9)11-1-3(13-6)7(18)12-2-4(16)17/h1H,2H2,(H,12,18)(H,16,17)(H3,10,13,14,15,19)
InChIKeyCGDYFAVFPXPHPZ-UHFFFAOYSA-N
MW264.20 g/mol
LogP-1.89
Rot. Bonds3

About 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid

2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid (PubChem CID 136846152) has the molecular formula C9H8N6O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid
PubChem CID136846152
Molecular FormulaC9H8N6O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid
SMILESNc1nc2nc(C(=O)NCC(=O)O)cnc2c(=O)[nH]1
InChIInChI=1S/C9H8N6O4/c10-9-14-6-5(8(19)15-9)11-1-3(13-6)7(18)12-2-4(16)17/h1H,2H2,(H,12,18)(H,16,17)(H3,10,13,14,15,19)
InChIKeyCGDYFAVFPXPHPZ-UHFFFAOYSA-N
XLogP-1.89
TPSA163.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Pterin
CID 135398660
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
6-Formylpterin
CID 135409352
Pterin-6-Carboxylic Acid
CID 135403803
Pteridin-4-ol
CID 135460266
2-Amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
CID 135460042
Lcb-2183
CID 135418284
6-methyl-2-pivaloylamino-4(3H)-pteridinone
CID 135423678
2-amino-6-hex-1-ynyl-3H-pteridin-4-one
CID 135925131
7-Methylpterin
CID 135431315
Dimethylpterin
CID 135443570
2-amino-4-oxo-3H-pteridine-7-carboxamide
CID 136025898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid (CID 136846152) is 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid is Nc1nc2nc(C(=O)NCC(=O)O)cnc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid?
The InChIKey is CGDYFAVFPXPHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O4/c10-9-14-6-5(8(19)15-9)11-1-3(13-6)7(18)12-2-4(16)17/h1H,2H2,(H,12,18)(H,16,17)(H3,10,13,14,15,19).
What are the key properties of 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid?
2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid has a molecular weight of 264.20 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid is sourced from PubChem (CID 136846152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).