3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C11H13N3O5S — CID 43353732

IUPAC3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-5(15)7(10(18)19)13-8(16)6-4-12-11-14(9(6)17)2-3-20-11/h4-5,7,15H,2-3H2,1H3,(H,13,16)(H,18,19)
InChIKeyGIPUIPXUVQTCQB-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.09
Rot. Bonds4

About 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43353732) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43353732
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-5(15)7(10(18)19)13-8(16)6-4-12-11-14(9(6)17)2-3-20-11/h4-5,7,15H,2-3H2,1H3,(H,13,16)(H,18,19)
InChIKeyGIPUIPXUVQTCQB-UHFFFAOYSA-N
XLogP-1.09
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43353732) is 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is GIPUIPXUVQTCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5(15)7(10(18)19)13-8(16)6-4-12-11-14(9(6)17)2-3-20-11/h4-5,7,15H,2-3H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 299.31 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).