(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

C11H11N3O4S — CID 120526975

IUPAC(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCc1csc2ncc(C(=O)N[C@H](C)C(=O)O)c(=O)n12
InChIInChI=1S/C11H11N3O4S/c1-5-4-19-11-12-3-7(9(16)14(5)11)8(15)13-6(2)10(17)18/h3-4,6H,1-2H3,(H,13,15)(H,17,18)/t6-/m1/s1
InChIKeyULEVFUQFTRUKIV-ZCFIWIBFSA-N
MW281.29 g/mol
LogP0.27
Rot. Bonds3

About (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid

(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 120526975) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID120526975
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESCc1csc2ncc(C(=O)N[C@H](C)C(=O)O)c(=O)n12
InChIInChI=1S/C11H11N3O4S/c1-5-4-19-11-12-3-7(9(16)14(5)11)8(15)13-6(2)10(17)18/h3-4,6H,1-2H3,(H,13,15)(H,17,18)/t6-/m1/s1
InChIKeyULEVFUQFTRUKIV-ZCFIWIBFSA-N
XLogP0.27
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564201
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 120533378
3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3442036
4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524569
N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470738
N-(4-carbamoylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3586698
3-methyl-N-(2-methylprop-2-enoxy)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 120526975) is (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is Cc1csc2ncc(C(=O)N[C@H](C)C(=O)O)c(=O)n12.
What is the InChIKey of (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is ULEVFUQFTRUKIV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-5-4-19-11-12-3-7(9(16)14(5)11)8(15)13-6(2)10(17)18/h3-4,6H,1-2H3,(H,13,15)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 281.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120526975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).