2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid

C12H18N2O4S — CID 62818776

IUPAC2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cn1c(C)csc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-5-14(12(3,4)10(16)17)9(15)6-13-8(2)7-19-11(13)18/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyQDMIVJOMQVTZJA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.93
Rot. Bonds5

About 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62818776) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID62818776
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cn1c(C)csc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-5-14(12(3,4)10(16)17)9(15)6-13-8(2)7-19-11(13)18/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyQDMIVJOMQVTZJA-UHFFFAOYSA-N
XLogP0.93
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 62818776) is 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid is CCN(C(=O)Cn1c(C)csc1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is QDMIVJOMQVTZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-5-14(12(3,4)10(16)17)9(15)6-13-8(2)7-19-11(13)18/h7H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).