2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid

C7H7N3O5S — CID 65214194

IUPAC2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C7H7N3O5S/c11-5(12)1-10(2-6(13)14)7(15)4-3-16-9-8-4/h3H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLYXHHFUYHCRDFX-UHFFFAOYSA-N
MW245.22 g/mol
LogP-0.85
Rot. Bonds5

About 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid

2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid (PubChem CID 65214194) has the molecular formula C7H7N3O5S and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid
PubChem CID65214194
Molecular FormulaC7H7N3O5S
Molecular Weight245.22 g/mol
Exact Mass245.01
IUPAC Name2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C7H7N3O5S/c11-5(12)1-10(2-6(13)14)7(15)4-3-16-9-8-4/h3H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLYXHHFUYHCRDFX-UHFFFAOYSA-N
XLogP-0.85
TPSA120.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid (CID 65214194) is 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1csnn1.
What is the InChIKey of 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid?
The InChIKey is LYXHHFUYHCRDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5S/c11-5(12)1-10(2-6(13)14)7(15)4-3-16-9-8-4/h3H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid?
2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid has a molecular weight of 245.22 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(thiadiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65214194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).