(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate

C20H32N4O5 — CID 129148477

IUPAC(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate
SMILESC=C1CCC(=O)N1OC(=O)CCNC(=O)CCNC(=O)[13CH]1[13CH2][13CH2][13CH2][15N]1[13CH2][13CH]([13CH3])[13CH3]
InChIInChI=1S/C20H32N4O5/c1-14(2)13-23-12-4-5-16(23)20(28)22-10-8-17(25)21-11-9-19(27)29-24-15(3)6-7-18(24)26/h14,16H,3-13H2,1-2H3,(H,21,25)(H,22,28)/i1+1,2+1,4+1,5+1,12+1,13+1,14+1,16+1,23+1
InChIKeyIGDJPTQSEKPVGG-UDXKMHPESA-N
MW417.43 g/mol
LogP0.71
Rot. Bonds10

About (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate

(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate (PubChem CID 129148477) has the molecular formula C20H32N4O5 and a molecular weight of 417.43 g/mol. Its IUPAC name is (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate.

Molecular Properties

Compound Name(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate
PubChem CID129148477
Molecular FormulaC20H32N4O5
Molecular Weight417.43 g/mol
Exact Mass417.26
IUPAC Name(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate
SMILESC=C1CCC(=O)N1OC(=O)CCNC(=O)CCNC(=O)[13CH]1[13CH2][13CH2][13CH2][15N]1[13CH2][13CH]([13CH3])[13CH3]
InChIInChI=1S/C20H32N4O5/c1-14(2)13-23-12-4-5-16(23)20(28)22-10-8-17(25)21-11-9-19(27)29-24-15(3)6-7-18(24)26/h14,16H,3-13H2,1-2H3,(H,21,25)(H,22,28)/i1+1,2+1,4+1,5+1,12+1,13+1,14+1,16+1,23+1
InChIKeyIGDJPTQSEKPVGG-UDXKMHPESA-N
XLogP0.71
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate 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-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[2-deuterio-1-(1-deuterio-2-(113C)methyl(1,2,3-13C3)propyl)(115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate
CID 129148638
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 129148317
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-[2,2-di((113C)methyl)(1,2,3-13C3)propyl](115N)azolidine-2-carbonyl]amino](113C)propanoyl(15N)amino](113C)propanoate
CID 129148300
(2,5-dioxopyrrolidin-1-yl) 3-[3-[(1-(1,2,3-13C3)propan-2-ylpyrrolidine-2-carbonyl)(15N)amino](1,2,3-13C3)propanoyl(15N)amino](113C)propanoate
CID 129148295
(2,5-dioxopyrrolidin-1-yl) 3-[3-[(1-butan-2-ylpyrrolidine-2-carbonyl)amino]propanoylamino]propanoate
CID 118576572
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(113C)ethyl(2,3,4,5-13C4,115N)azolidin-1-yl)acetyl]amino]propanoylamino](113C)propanoate
CID 160797530
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethyl(115N)azolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethyl(115N)azolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethyl(115N)azolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(213C)ethyl(115N)azolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(1,2-13C2)ethylpyrrolidin-1-yl)acetyl]amino]propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethylpyrrolidin-1-yl)acetyl](15N)amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-ethylpyrrolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2-(213C)ethylpyrrolidin-1-yl)acetyl](15N)amino](113C)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 158481678
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl](15N)amino](2,3-13C2)propanoyl(15N)amino](113C)propanoate
CID 86291041
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
CID 160509957
CID 89330987
CID 89330987

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate?
The IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate (CID 129148477) is (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate.
What is the SMILES notation for (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate?
The canonical SMILES for (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate is C=C1CCC(=O)N1OC(=O)CCNC(=O)CCNC(=O)[13CH]1[13CH2][13CH2][13CH2][15N]1[13CH2][13CH]([13CH3])[13CH3].
What is the InChIKey of (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate?
The InChIKey is IGDJPTQSEKPVGG-UDXKMHPESA-N. The full InChI is InChI=1S/C20H32N4O5/c1-14(2)13-23-12-4-5-16(23)20(28)22-10-8-17(25)21-11-9-19(27)29-24-15(3)6-7-18(24)26/h14,16H,3-13H2,1-2H3,(H,21,25)(H,22,28)/i1+1,2+1,4+1,5+1,12+1,13+1,14+1,16+1,23+1.
What are the key properties of (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate?
(2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate has a molecular weight of 417.43 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-oxopyrrolidin-1-yl) 3-[3-[[1-(2-(113C)methyl(1,2,3-13C3)propyl)(2,3,4,5-13C4,115N)azolidine-2-carbonyl]amino]propanoylamino]propanoate is sourced from PubChem (CID 129148477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).