1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C13H15N3O5 — CID 79321740

IUPAC1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN1C(=O)CCC(NC(=O)Cn2cccc2C(=O)O)C1=O
InChIInChI=1S/C13H15N3O5/c1-15-11(18)5-4-8(12(15)19)14-10(17)7-16-6-2-3-9(16)13(20)21/h2-3,6,8H,4-5,7H2,1H3,(H,14,17)(H,20,21)
InChIKeyVUOQHMSGEFMDFI-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.55
Rot. Bonds4

About 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79321740) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79321740
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN1C(=O)CCC(NC(=O)Cn2cccc2C(=O)O)C1=O
InChIInChI=1S/C13H15N3O5/c1-15-11(18)5-4-8(12(15)19)14-10(17)7-16-6-2-3-9(16)13(20)21/h2-3,6,8H,4-5,7H2,1H3,(H,14,17)(H,20,21)
InChIKeyVUOQHMSGEFMDFI-UHFFFAOYSA-N
XLogP-0.55
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79330927
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 115460043
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
1-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324219
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
CID 83023632
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
1-[2-[(1,1-dioxothian-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324704
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261283
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
1-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324424

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79321740) is 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is CN1C(=O)CCC(NC(=O)Cn2cccc2C(=O)O)C1=O.
What is the InChIKey of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is VUOQHMSGEFMDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-15-11(18)5-4-8(12(15)19)14-10(17)7-16-6-2-3-9(16)13(20)21/h2-3,6,8H,4-5,7H2,1H3,(H,14,17)(H,20,21).
What are the key properties of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79321740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).