(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid

C8H11N3O4S — CID 28777376

IUPAC(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C8H11N3O4S/c1-3-6(16-11-10-3)7(13)9-5(4(2)12)8(14)15/h4-5,12H,1-2H3,(H,9,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyFBZWZWGFVXMURY-UHNVWZDZSA-N
MW245.26 g/mol
LogP-0.59
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 28777376) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID28777376
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C8H11N3O4S/c1-3-6(16-11-10-3)7(13)9-5(4(2)12)8(14)15/h4-5,12H,1-2H3,(H,9,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyFBZWZWGFVXMURY-UHNVWZDZSA-N
XLogP-0.59
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid (CID 28777376) is (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid is Cc1nnsc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is FBZWZWGFVXMURY-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-3-6(16-11-10-3)7(13)9-5(4(2)12)8(14)15/h4-5,12H,1-2H3,(H,9,13)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28777376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).