2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid

C7H9N3O4S — CID 106107261

IUPAC2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C7H9N3O4S/c1-14-5(7(12)13)3-8-6(11)4-2-9-15-10-4/h2,5H,3H2,1H3,(H,8,11)(H,12,13)
InChIKeyLLDLPFWQUBDCJN-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.63
Rot. Bonds5

About 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid

2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid (PubChem CID 106107261) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
PubChem CID106107261
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C7H9N3O4S/c1-14-5(7(12)13)3-8-6(11)4-2-9-15-10-4/h2,5H,3H2,1H3,(H,8,11)(H,12,13)
InChIKeyLLDLPFWQUBDCJN-UHFFFAOYSA-N
XLogP-0.63
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)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

2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
CID 65219482
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 107834931
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63120256
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
N-[2-(2-methoxyethylamino)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 82994696
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
ethyl 2-(1,2,5-thiadiazole-3-carbonylamino)acetate
CID 47257748
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid (CID 106107261) is 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid is COC(CNC(=O)c1cnsn1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid?
The InChIKey is LLDLPFWQUBDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-14-5(7(12)13)3-8-6(11)4-2-9-15-10-4/h2,5H,3H2,1H3,(H,8,11)(H,12,13).
What are the key properties of 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid?
2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid is sourced from PubChem (CID 106107261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).