2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

C7H9N3O4S — CID 65268076

IUPAC2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-4-8-7(15-9-4)10(2-5(11)12)3-6(13)14/h2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyAVSMFGJJFSNNPD-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.18
Rot. Bonds5

About 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65268076) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65268076
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-4-8-7(15-9-4)10(2-5(11)12)3-6(13)14/h2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyAVSMFGJJFSNNPD-UHFFFAOYSA-N
XLogP-0.18
TPSA103.62 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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65268076) is 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is Cc1nsc(N(CC(=O)O)CC(=O)O)n1.
What is the InChIKey of 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is AVSMFGJJFSNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-4-8-7(15-9-4)10(2-5(11)12)3-6(13)14/h2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 231.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65268076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).