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

C9H13N3O5S — CID 106382773

IUPAC2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCC(O)(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-9(17,6(13)14)4-11-7(15)10-2-5-3-18-8(16)12-5/h3,17H,2,4H2,1H3,(H,12,16)(H,13,14)(H2,10,11,15)
InChIKeyUHSDSQBDECSPBG-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.93
Rot. Bonds5

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

2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106382773) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
PubChem CID106382773
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESCC(O)(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-9(17,6(13)14)4-11-7(15)10-2-5-3-18-8(16)12-5/h3,17H,2,4H2,1H3,(H,12,16)(H,13,14)(H2,10,11,15)
InChIKeyUHSDSQBDECSPBG-UHFFFAOYSA-N
XLogP-0.93
TPSA131.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (CID 106382773) is 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is CC(O)(CNC(=O)NCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is UHSDSQBDECSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-9(17,6(13)14)4-11-7(15)10-2-5-3-18-8(16)12-5/h3,17H,2,4H2,1H3,(H,12,16)(H,13,14)(H2,10,11,15).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 275.29 g/mol, XLogP of -0.93, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106382773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).