2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid

C7H8N2O4S — CID 3115033

IUPAC2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1nccs1
InChIInChI=1S/C7H8N2O4S/c10-5(11)3-9(4-6(12)13)7-8-1-2-14-7/h1-2H,3-4H2,(H,10,11)(H,12,13)
InChIKeyZTDYTUQHYHLBGB-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.12
Rot. Bonds5

About 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid

2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 3115033) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid
PubChem CID3115033
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1nccs1
InChIInChI=1S/C7H8N2O4S/c10-5(11)3-9(4-6(12)13)7-8-1-2-14-7/h1-2H,3-4H2,(H,10,11)(H,12,13)
InChIKeyZTDYTUQHYHLBGB-UHFFFAOYSA-N
XLogP0.12
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid (CID 3115033) is 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)c1nccs1.
What is the InChIKey of 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is ZTDYTUQHYHLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c10-5(11)3-9(4-6(12)13)7-8-1-2-14-7/h1-2H,3-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid?
2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 216.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 3115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).