2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide

C16H26N4O6 — CID 88940721

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide
SMILESCOC(C)C(=O)NCCC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C16H26N4O6/c1-9(20-13(22)5-6-14(20)23)15(24)19-11(3)18-12(21)7-8-17-16(25)10(2)26-4/h9-11H,5-8H2,1-4H3,(H,17,25)(H,18,21)(H,19,24)
InChIKeyUXYXBLFVFFJFEY-UHFFFAOYSA-N
MW370.41 g/mol
LogP-1.36
Rot. Bonds9

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide (PubChem CID 88940721) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide
PubChem CID88940721
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide
SMILESCOC(C)C(=O)NCCC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C16H26N4O6/c1-9(20-13(22)5-6-14(20)23)15(24)19-11(3)18-12(21)7-8-17-16(25)10(2)26-4/h9-11H,5-8H2,1-4H3,(H,17,25)(H,18,21)(H,19,24)
InChIKeyUXYXBLFVFFJFEY-UHFFFAOYSA-N
XLogP-1.36
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxypropanoylamino)-N-[1-[2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]-N'-[2-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]pentanediamide
CID 58340889
N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 58340893
2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-N-(3-methoxy-2-oxoazetidin-3-yl)-N'-methylbutanediamide
CID 70544873
2-(2-ethoxypropanoylamino)-N'-[1-[2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]-N-[2-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]butanediamide
CID 88591091
[[1-[1-[1-(2-Methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl]-2,5-dioxopyrrolidin-3-yl]amino]sulfanyl thiohypoiodite
CID 88927394
[[1-[1-[1-(2-Methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl]-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
CID 88927425
[[1-[1-[1-[3-(2-Methoxypropanoylamino)propanoylamino]ethylamino]-1-oxopropan-2-yl]-2,5-dioxopyrrolidin-3-yl]amino]sulfanyl thiohypoiodite
CID 88927467
[[1-[1-[1-[3-(2-Methoxypropanoylamino)propanoylamino]ethylamino]-1-oxopropan-2-yl]-2,5-dioxopyrrolidin-3-yl]disulfanyl] thiohypoiodite
CID 88927470
2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide
CID 89425548
3-(2-ethoxypropanoylamino)-N,N'-bis[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]pentanediamide
CID 89425550
Azane;[2-oxo-2-[5,8,12-trioxo-10-(2-oxopropylcarbamoyl)-1,3,6,9-tetrazacyclododec-3-yl]ethyl] acetate
CID 91062636
3-(2-ethoxypropanoylamino)-N,N'-bis[1-[2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]pentanediamide
CID 117672942

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide (CID 88940721) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide is COC(C)C(=O)NCCC(=O)NC(C)NC(=O)C(C)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide?
The InChIKey is UXYXBLFVFFJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-9(20-13(22)5-6-14(20)23)15(24)19-11(3)18-12(21)7-8-17-16(25)10(2)26-4/h9-11H,5-8H2,1-4H3,(H,17,25)(H,18,21)(H,19,24).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of -1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-[3-(2-methoxypropanoylamino)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 88940721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).