2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid

C10H15N3O4S — CID 114144262

IUPAC2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(14)11-4-6(17-3)10(15)16/h5-6H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyNEYNRYKIGAUNNA-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.49
Rot. Bonds6

About 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid

2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 114144262) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID114144262
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1snnc1C(C)C)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(14)11-4-6(17-3)10(15)16/h5-6H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyNEYNRYKIGAUNNA-UHFFFAOYSA-N
XLogP0.49
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (CID 114144262) is 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is COC(CNC(=O)c1snnc1C(C)C)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is NEYNRYKIGAUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5(2)7-8(18-13-12-7)9(14)11-4-6(17-3)10(15)16/h5-6H,4H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114144262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).