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

C9H12N2O4S — CID 78972786

IUPAC(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(12)10-6(2)8(13)14/h4,6H,3H2,1-2H3,(H,10,12)(H,13,14)/t6-/m1/s1
InChIKeyBVTSVHQVVUTQOW-ZCFIWIBFSA-N
MW244.27 g/mol
LogP-0.19
Rot. Bonds4

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

(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 78972786) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID78972786
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(12)10-6(2)8(13)14/h4,6H,3H2,1-2H3,(H,10,12)(H,13,14)/t6-/m1/s1
InChIKeyBVTSVHQVVUTQOW-ZCFIWIBFSA-N
XLogP-0.19
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 78972786) is (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is Cc1csc(=O)n1CC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is BVTSVHQVVUTQOW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(12)10-6(2)8(13)14/h4,6H,3H2,1-2H3,(H,10,12)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 78972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).