2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid

C8H11N3O5S — CID 106382774

IUPAC2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESO=C(NCc1csc(=O)[nH]1)NCC(O)C(=O)O
InChIInChI=1S/C8H11N3O5S/c12-5(6(13)14)2-10-7(15)9-1-4-3-17-8(16)11-4/h3,5,12H,1-2H2,(H,11,16)(H,13,14)(H2,9,10,15)
InChIKeyYUQJDDQLRMXTBS-UHFFFAOYSA-N
MW261.26 g/mol
LogP-1.32
Rot. Bonds5

About 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid

2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106382774) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
PubChem CID106382774
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESO=C(NCc1csc(=O)[nH]1)NCC(O)C(=O)O
InChIInChI=1S/C8H11N3O5S/c12-5(6(13)14)2-10-7(15)9-1-4-3-17-8(16)11-4/h3,5,12H,1-2H2,(H,11,16)(H,13,14)(H2,9,10,15)
InChIKeyYUQJDDQLRMXTBS-UHFFFAOYSA-N
XLogP-1.32
TPSA131.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (CID 106382774) is 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is O=C(NCc1csc(=O)[nH]1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is YUQJDDQLRMXTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c12-5(6(13)14)2-10-7(15)9-1-4-3-17-8(16)11-4/h3,5,12H,1-2H2,(H,11,16)(H,13,14)(H2,9,10,15).
What are the key properties of 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 261.26 g/mol, XLogP of -1.32, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).