(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C7H9N3O3S — CID 28777812

IUPAC(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1
InChIKeySCAWXLKKVPFFFZ-BYPYZUCNSA-N
MW215.23 g/mol
LogP0.05
Rot. Bonds3

About (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 28777812) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID28777812
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1
InChIKeySCAWXLKKVPFFFZ-BYPYZUCNSA-N
XLogP0.05
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 28777812) is (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is SCAWXLKKVPFFFZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
(2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).