(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate

C15H23N3O6 — CID 59096569

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate
SMILESCN1CCCC(COC(=O)NCCC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C15H23N3O6/c1-17-8-2-3-11(9-17)10-23-15(22)16-7-6-14(21)24-18-12(19)4-5-13(18)20/h11H,2-10H2,1H3,(H,16,22)
InChIKeySNTJSOGRBQKQDK-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.05
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate (PubChem CID 59096569) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate
PubChem CID59096569
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate
SMILESCN1CCCC(COC(=O)NCCC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C15H23N3O6/c1-17-8-2-3-11(9-17)10-23-15(22)16-7-6-14(21)24-18-12(19)4-5-13(18)20/h11H,2-10H2,1H3,(H,16,22)
InChIKeySNTJSOGRBQKQDK-UHFFFAOYSA-N
XLogP0.05
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
CID 146406428
(2,5-dioxopyrrolidin-1-yl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 90136786
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
CID 21030166
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoylamino](313C)propanoate
CID 121340841
(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-[1,4-di((113C)methyl)-(2,3,5,6-13C4)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,5,6-13C4,415N)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,6-13C3,1,4-15N2)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,5,6-13C3,415N)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate
CID 158941583
(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-(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-[(1-(1,2,3-13C3)propan-2-ylpyrrolidine-2-carbonyl)(15N)amino](1,2,3-13C3)propanoyl(15N)amino](113C)propanoate
CID 129148295
CID 89330987
CID 89330987
(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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate (CID 59096569) is (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate is CN1CCCC(COC(=O)NCCC(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate?
The InChIKey is SNTJSOGRBQKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-17-8-2-3-11(9-17)10-23-15(22)16-7-6-14(21)24-18-12(19)4-5-13(18)20/h11H,2-10H2,1H3,(H,16,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate has a molecular weight of 341.36 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate is sourced from PubChem (CID 59096569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).