2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C11H16N2O4S — CID 104770728

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(NC(=O)OC(C)(C)C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4S/c1-6-5-18-8(12-6)7(9(14)15)13-10(16)17-11(2,3)4/h5,7H,1-4H3,(H,13,16)(H,14,15)
InChIKeyWZDPLLFFFCTFTD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.10
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 104770728) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID104770728
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(NC(=O)OC(C)(C)C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4S/c1-6-5-18-8(12-6)7(9(14)15)13-10(16)17-11(2,3)4/h5,7H,1-4H3,(H,13,16)(H,14,15)
InChIKeyWZDPLLFFFCTFTD-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 25417845
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 172639251
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-propan-2-yl-1,3-thiazol-4-yl)butanoic acid
CID 174645476
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetic acid
CID 153368015
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 12508747
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
CID 11728648
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 64975087

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 104770728) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is Cc1csc(C(NC(=O)OC(C)(C)C)C(=O)O)n1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is WZDPLLFFFCTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6-5-18-8(12-6)7(9(14)15)13-10(16)17-11(2,3)4/h5,7H,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 272.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 104770728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).