(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid

C11H12N4O4S — CID 61145985

IUPAC(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)n1nc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C11H12N4O4S/c12-7(10(17)18)5-20-6-9(16)15-11(19)14-4-2-1-3-8(14)13-15/h1-4,7H,5-6,12H2,(H,17,18)/t7-/m0/s1
InChIKeyRDNXVHCTFRRAOW-ZETCQYMHSA-N
MW296.31 g/mol
LogP-0.72
Rot. Bonds5

About (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid (PubChem CID 61145985) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid
PubChem CID61145985
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSCC(=O)n1nc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C11H12N4O4S/c12-7(10(17)18)5-20-6-9(16)15-11(19)14-4-2-1-3-8(14)13-15/h1-4,7H,5-6,12H2,(H,17,18)/t7-/m0/s1
InChIKeyRDNXVHCTFRRAOW-ZETCQYMHSA-N
XLogP-0.72
TPSA119.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43502529
2-(2-azidoacetyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55138769
1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
CID 62060082
2-[2-(3-amino-5-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79993273
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897240
2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79873968
2-amino-3-(3-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 84684607
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-2-phenylacetamide
CID 56807759
3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
CID 63577897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid (CID 61145985) is (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid is N[C@@H](CSCC(=O)n1nc2ccccn2c1=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid?
The InChIKey is RDNXVHCTFRRAOW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N4O4S/c12-7(10(17)18)5-20-6-9(16)15-11(19)14-4-2-1-3-8(14)13-15/h1-4,7H,5-6,12H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid has a molecular weight of 296.31 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61145985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).