(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid

C8H8N4O2S — CID 7644851

IUPAC(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
SMILESC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)O
InChIInChI=1S/C8H8N4O2S/c1-4(8(13)14)15-7-5-6(10-2-9-5)11-3-12-7/h2-4H,1H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1
InChIKeyIZWZDXLHEAFSGF-SCSAIBSYSA-N
MW224.25 g/mol
LogP0.92
Rot. Bonds3

About (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid

(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid (PubChem CID 7644851) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
PubChem CID7644851
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
SMILESC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)O
InChIInChI=1S/C8H8N4O2S/c1-4(8(13)14)15-7-5-6(10-2-9-5)11-3-12-7/h2-4H,1H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1
InChIKeyIZWZDXLHEAFSGF-SCSAIBSYSA-N
XLogP0.92
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(7H-purin-6-ylsulfanyl)propanoic 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

(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850
2-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 113373516
(2S)-N-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 40900661
N-(4-acetylphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 23101869
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
(2S)-N-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 41063647
3-phenyl-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 60793479
(2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 124566871
(2R)-N-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 40900081
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62253975
methyl 2-amino-2-methyl-4-(7H-purin-6-ylsulfanyl)pentanoate
CID 64703508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid (CID 7644851) is (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid is C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)O.
What is the InChIKey of (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid?
The InChIKey is IZWZDXLHEAFSGF-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-4(8(13)14)15-7-5-6(10-2-9-5)11-3-12-7/h2-4H,1H3,(H,13,14)(H,9,10,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid?
(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid has a molecular weight of 224.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid is sourced from PubChem (CID 7644851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).