2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid

C10H13NO3S — CID 82236510

IUPAC2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCc1csc(=O)n1C(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H13NO3S/c1-6-5-15-9(14)11(6)10(2,8(12)13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCVTXLDYWZCMNTC-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds3

About 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid

2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (PubChem CID 82236510) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
PubChem CID82236510
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCc1csc(=O)n1C(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H13NO3S/c1-6-5-15-9(14)11(6)10(2,8(12)13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCVTXLDYWZCMNTC-UHFFFAOYSA-N
XLogP1.43
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid
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2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
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2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 82237816
3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
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2-cyclopropyl-2-(2,6-dimethylmorpholin-4-yl)propanoic acid
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2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 82238527
2-methyl-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 62819547
3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148913
2-(3-cyano-1,2,4-triazol-1-yl)-2-cyclopropylpropanoic acid
CID 82237818

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (CID 82236510) is 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is Cc1csc(=O)n1C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The InChIKey is CVTXLDYWZCMNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-5-15-9(14)11(6)10(2,8(12)13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is sourced from PubChem (CID 82236510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).