2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H16N2O4S — CID 10923680

IUPAC2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h5-6H,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1
InChIKeyRMWBWHVGORCVAB-ZCFIWIBFSA-N
MW272.33 g/mol
LogP2.43
Rot. Bonds3

About 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 10923680) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID10923680
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h5-6H,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1
InChIKeyRMWBWHVGORCVAB-ZCFIWIBFSA-N
XLogP2.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 10923680) is 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RMWBWHVGORCVAB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h5-6H,1-4H3,(H,12,16)(H,14,15)/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 10923680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).