2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid

C8H10N2O5S — CID 88674415

IUPAC2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid
SMILESNc1nc(C(C(=O)O)C(O)CC(=O)O)cs1
InChIInChI=1S/C8H10N2O5S/c9-8-10-3(2-16-8)6(7(14)15)4(11)1-5(12)13/h2,4,6,11H,1H2,(H2,9,10)(H,12,13)(H,14,15)
InChIKeyRIEWSFRJPLNJSA-UHFFFAOYSA-N
MW246.24 g/mol
LogP-0.27
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid

2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid (PubChem CID 88674415) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid
PubChem CID88674415
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid
SMILESNc1nc(C(C(=O)O)C(O)CC(=O)O)cs1
InChIInChI=1S/C8H10N2O5S/c9-8-10-3(2-16-8)6(7(14)15)4(11)1-5(12)13/h2,4,6,11H,1H2,(H2,9,10)(H,12,13)(H,14,15)
InChIKeyRIEWSFRJPLNJSA-UHFFFAOYSA-N
XLogP-0.27
TPSA133.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid (CID 88674415) is 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid is Nc1nc(C(C(=O)O)C(O)CC(=O)O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid?
The InChIKey is RIEWSFRJPLNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c9-8-10-3(2-16-8)6(7(14)15)4(11)1-5(12)13/h2,4,6,11H,1H2,(H2,9,10)(H,12,13)(H,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid?
2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid has a molecular weight of 246.24 g/mol, XLogP of -0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-3-hydroxypentanedioic acid is sourced from PubChem (CID 88674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).