4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

C12H15N3O4S — CID 83193718

IUPAC4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)C2CNC(=O)C2)n1
InChIInChI=1S/C12H15N3O4S/c16-9-4-7(5-13-9)11(19)15-12-14-8(6-20-12)2-1-3-10(17)18/h6-7H,1-5H2,(H,13,16)(H,17,18)(H,14,15,19)
InChIKeyAPPPGHWPAXOTBB-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.62
Rot. Bonds6

About 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 83193718) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID83193718
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)C2CNC(=O)C2)n1
InChIInChI=1S/C12H15N3O4S/c16-9-4-7(5-13-9)11(19)15-12-14-8(6-20-12)2-1-3-10(17)18/h6-7H,1-5H2,(H,13,16)(H,17,18)(H,14,15,19)
InChIKeyAPPPGHWPAXOTBB-UHFFFAOYSA-N
XLogP0.62
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656279
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
4-[2-(pent-4-ynoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 114028540
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655799
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 83193718) is 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)C2CNC(=O)C2)n1.
What is the InChIKey of 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is APPPGHWPAXOTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-9-4-7(5-13-9)11(19)15-12-14-8(6-20-12)2-1-3-10(17)18/h6-7H,1-5H2,(H,13,16)(H,17,18)(H,14,15,19).
What are the key properties of 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 83193718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).