3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide

C13H20N4O5 — CID 156543086

IUPAC3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
SMILESCC1CC(=O)N(CCNC(=O)CCNC(=O)CNC=O)C1=O
InChIInChI=1S/C13H20N4O5/c1-9-6-12(21)17(13(9)22)5-4-16-10(19)2-3-15-11(20)7-14-8-18/h8-9H,2-7H2,1H3,(H,14,18)(H,15,20)(H,16,19)
InChIKeySPKSDVGDQQXYCE-UHFFFAOYSA-N
MW312.33 g/mol
LogP-2.25
Rot. Bonds9

About 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide

3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide (PubChem CID 156543086) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
PubChem CID156543086
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
SMILESCC1CC(=O)N(CCNC(=O)CCNC(=O)CNC=O)C1=O
InChIInChI=1S/C13H20N4O5/c1-9-6-12(21)17(13(9)22)5-4-16-10(19)2-3-15-11(20)7-14-8-18/h8-9H,2-7H2,1H3,(H,14,18)(H,15,20)(H,16,19)
InChIKeySPKSDVGDQQXYCE-UHFFFAOYSA-N
XLogP-2.25
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide 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

ethane;4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 145224395
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 163614544
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59757292
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
18-[[1-carboxy-4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 154643354
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018

Frequently Asked Questions

What is the IUPAC name of 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide (CID 156543086) is 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide is CC1CC(=O)N(CCNC(=O)CCNC(=O)CNC=O)C1=O.
What is the InChIKey of 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide?
The InChIKey is SPKSDVGDQQXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-9-6-12(21)17(13(9)22)5-4-16-10(19)2-3-15-11(20)7-14-8-18/h8-9H,2-7H2,1H3,(H,14,18)(H,15,20)(H,16,19).
What are the key properties of 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide?
3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide has a molecular weight of 312.33 g/mol, XLogP of -2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 156543086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).