2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid

C11H16N2O4S — CID 124567722

IUPAC2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyICDURVYGDQEDNK-ZCFIWIBFSA-N
MW272.33 g/mol
LogP2.43
Rot. Bonds3

About 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid

2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 124567722) 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-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID124567722
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyICDURVYGDQEDNK-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

Analyze 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
CID 143290632
2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 164637639
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium
CID 173069030
methyl 2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 101222857
methyl 2-[3-methyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-1-yl]-1,3-thiazole-5-carboxylate
CID 164579986
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 124567722) is 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid is C[C@@H](NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ICDURVYGDQEDNK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15)/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-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-5-carboxylic acid is sourced from PubChem (CID 124567722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).