1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid

C11H11N3O4S — CID 114181752

IUPAC1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H11N3O4S/c15-9(12-4-7-6-19-11(18)13-7)5-14-3-1-2-8(14)10(16)17/h1-3,6H,4-5H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZXQSGXQGJIVQLR-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.25
Rot. Bonds5

About 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid

1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid (PubChem CID 114181752) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid
PubChem CID114181752
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H11N3O4S/c15-9(12-4-7-6-19-11(18)13-7)5-14-3-1-2-8(14)10(16)17/h1-3,6H,4-5H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZXQSGXQGJIVQLR-UHFFFAOYSA-N
XLogP0.25
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325564
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2-(2-hydroxyphenyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775150
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322
5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 80524381
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
CID 83023632
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114957290
2-(1H-indol-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775067

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid (CID 114181752) is 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid?
The InChIKey is ZXQSGXQGJIVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-9(12-4-7-6-19-11(18)13-7)5-14-3-1-2-8(14)10(16)17/h1-3,6H,4-5H2,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114181752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).