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

C13H19N3O5 — CID 71290844

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
SMILESCOCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-21-9-5-11(18)15-7-6-14-10(17)4-8-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyVUJONGKGZUXKFD-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.43
Rot. Bonds9

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide (PubChem CID 71290844) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
PubChem CID71290844
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
SMILESCOCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-21-9-5-11(18)15-7-6-14-10(17)4-8-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyVUJONGKGZUXKFD-UHFFFAOYSA-N
XLogP-1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 58005097
CID 58005097
CID 20666018
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CID 20710717
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CID 21135495
CID 21135495
CID 23506200
CID 23506200
CID 23526539
CID 23526539
CID 51341002
CID 51341002
CID 57643402
CID 57643402
CID 57747448
CID 57747448
CID 58332974
CID 58332974
CID 58537159
CID 58537159
CID 58785854
CID 58785854

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide (CID 71290844) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide is COCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The InChIKey is VUJONGKGZUXKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-21-9-5-11(18)15-7-6-14-10(17)4-8-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide has a molecular weight of 297.31 g/mol, XLogP of -1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 71290844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).