5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid

C9H13N3O4S — CID 81076497

IUPAC5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-16-4-2-3-6(9(14)15)10-8(13)7-5-17-12-11-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15)
InChIKeyZLQMYTPPEBRIGW-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.15
Rot. Bonds7

About 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid

5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid (PubChem CID 81076497) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
PubChem CID81076497
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
SMILESCOCCCC(NC(=O)c1csnn1)C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-16-4-2-3-6(9(14)15)10-8(13)7-5-17-12-11-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15)
InChIKeyZLQMYTPPEBRIGW-UHFFFAOYSA-N
XLogP0.15
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
CID 114006173
5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
CID 65216211
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid (CID 81076497) is 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid is COCCCC(NC(=O)c1csnn1)C(=O)O.
What is the InChIKey of 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid?
The InChIKey is ZLQMYTPPEBRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-16-4-2-3-6(9(14)15)10-8(13)7-5-17-12-11-7/h5-6H,2-4H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid?
5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid has a molecular weight of 259.29 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 81076497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).