2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid

C7H9N3O4S — CID 107832176

IUPAC2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cnns1
InChIInChI=1S/C7H9N3O4S/c11-4(7(13)14)1-2-8-6(12)5-3-9-10-15-5/h3-4,11H,1-2H2,(H,8,12)(H,13,14)
InChIKeyPLWWOITZXUAILH-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.90
Rot. Bonds5

About 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid

2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid (PubChem CID 107832176) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
PubChem CID107832176
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cnns1
InChIInChI=1S/C7H9N3O4S/c11-4(7(13)14)1-2-8-6(12)5-3-9-10-15-5/h3-4,11H,1-2H2,(H,8,12)(H,13,14)
InChIKeyPLWWOITZXUAILH-UHFFFAOYSA-N
XLogP-0.90
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 62664375
N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
CID 65215199
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid (CID 107832176) is 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid is O=C(NCCC(O)C(=O)O)c1cnns1.
What is the InChIKey of 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid?
The InChIKey is PLWWOITZXUAILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c11-4(7(13)14)1-2-8-6(12)5-3-9-10-15-5/h3-4,11H,1-2H2,(H,8,12)(H,13,14).
What are the key properties of 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid?
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 107832176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).