(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate

C13H21N3O5 — CID 58840414

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CCC(NC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H21N3O5/c1-3-8-15-10(17)5-4-9(14-2)13(20)21-16-11(18)6-7-12(16)19/h9,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyVAEIYCAJGDNHRS-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.51
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate

(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate (PubChem CID 58840414) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate
PubChem CID58840414
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CCC(NC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H21N3O5/c1-3-8-15-10(17)5-4-9(14-2)13(20)21-16-11(18)6-7-12(16)19/h9,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyVAEIYCAJGDNHRS-UHFFFAOYSA-N
XLogP-0.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]sulfanyl-2-(methylamino)butanoate
CID 138456759
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(propanoylamino)hexanoate
CID 88950084
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) (2S)-6-[(N'-methylcarbamimidoyl)amino]-2-(propanoylamino)hexanoate
CID 139424652
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoate
CID 20641312
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(Z)-octadec-9-enoyl]amino]hexanoate
CID 58668212
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) (2S)-6-(diaminomethylideneamino)-2-(propanoylamino)hexanoate
CID 139351749
6-acetamido-2-((113C)methyl(15N)amino)hexanamide;carbane;(2,5-dioxopyrrolidin-1-yl) (313C)propanoate
CID 160722960

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate (CID 58840414) is (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate is CCCNC(=O)CCC(NC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate?
The InChIKey is VAEIYCAJGDNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-3-8-15-10(17)5-4-9(14-2)13(20)21-16-11(18)6-7-12(16)19/h9,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate has a molecular weight of 299.33 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate is sourced from PubChem (CID 58840414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).