2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid

C9H9N5O3 — CID 71406915

IUPAC2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid
SMILESCn1c(NCC(=O)O)nc2nccnc2c1=O
InChIInChI=1S/C9H9N5O3/c1-14-8(17)6-7(11-3-2-10-6)13-9(14)12-4-5(15)16/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyTXRIQDGUUMKAOI-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.78
Rot. Bonds3

About 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid

2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid (PubChem CID 71406915) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid
PubChem CID71406915
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid
SMILESCn1c(NCC(=O)O)nc2nccnc2c1=O
InChIInChI=1S/C9H9N5O3/c1-14-8(17)6-7(11-3-2-10-6)13-9(14)12-4-5(15)16/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyTXRIQDGUUMKAOI-UHFFFAOYSA-N
XLogP-0.78
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pterin
CID 135398660
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
Pterin-6-Carboxylic Acid
CID 135403803
Pteridin-4-ol
CID 135460266
2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-
CID 343616
1-Methyl-2,4(1H,3H)-pteridinedione
CID 556817
2-Acetylamino-4-hydroxy-6-formylpteridine
CID 135447887
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
3-methyl-1H-pteridine-2,4-dione
CID 379345

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid (CID 71406915) is 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid is Cn1c(NCC(=O)O)nc2nccnc2c1=O.
What is the InChIKey of 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid?
The InChIKey is TXRIQDGUUMKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-14-8(17)6-7(11-3-2-10-6)13-9(14)12-4-5(15)16/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid?
2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxopteridin-2-yl)amino]acetic acid is sourced from PubChem (CID 71406915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).