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

C7H10N2O3S — CID 65443409

IUPAC2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCc1csc(=O)n1CC(N)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-4-3-13-7(12)9(4)2-5(8)6(10)11/h3,5H,2,8H2,1H3,(H,10,11)
InChIKeyKMHMUWRULKGNDH-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.37
Rot. Bonds3

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

2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (PubChem CID 65443409) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
PubChem CID65443409
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCc1csc(=O)n1CC(N)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-4-3-13-7(12)9(4)2-5(8)6(10)11/h3,5H,2,8H2,1H3,(H,10,11)
InChIKeyKMHMUWRULKGNDH-UHFFFAOYSA-N
XLogP-0.37
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (CID 65443409) is 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is Cc1csc(=O)n1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The InChIKey is KMHMUWRULKGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4-3-13-7(12)9(4)2-5(8)6(10)11/h3,5H,2,8H2,1H3,(H,10,11).
What are the key properties of 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid has a molecular weight of 202.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is sourced from PubChem (CID 65443409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).