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

C15H12N6O4 — CID 162666361

IUPAC(2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc2nc(C(=O)N[C@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1
InChIKeyCKTFFRDVMHUKQB-VIFPVBQESA-N
MW340.30 g/mol
LogP-0.15
Rot. Bonds4

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

(2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid (PubChem CID 162666361) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
PubChem CID162666361
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name(2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc2nc(C(=O)N[C@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1
InChIKeyCKTFFRDVMHUKQB-VIFPVBQESA-N
XLogP-0.15
TPSA163.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid (CID 162666361) is (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid is Nc1nc2nc(C(=O)N[C@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1.
What is the InChIKey of (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is CKTFFRDVMHUKQB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 340.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 162666361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).