(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate

C16H21N3O6 — CID 174833612

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate
SMILESCCC(CCCC(=O)ON1C(=O)CCC1=O)CNN1C(=O)C=CC1=O
InChIInChI=1S/C16H21N3O6/c1-2-11(10-17-18-12(20)6-7-13(18)21)4-3-5-16(24)25-19-14(22)8-9-15(19)23/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyMHDIVIGZSNMVAQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.22
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate

(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate (PubChem CID 174833612) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate
PubChem CID174833612
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate
SMILESCCC(CCCC(=O)ON1C(=O)CCC1=O)CNN1C(=O)C=CC1=O
InChIInChI=1S/C16H21N3O6/c1-2-11(10-17-18-12(20)6-7-13(18)21)4-3-5-16(24)25-19-14(22)8-9-15(19)23/h6-7,11,17H,2-5,8-10H2,1H3
InChIKeyMHDIVIGZSNMVAQ-UHFFFAOYSA-N
XLogP0.22
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate (CID 174833612) is (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate is CCC(CCCC(=O)ON1C(=O)CCC1=O)CNN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate?
The InChIKey is MHDIVIGZSNMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-2-11(10-17-18-12(20)6-7-13(18)21)4-3-5-16(24)25-19-14(22)8-9-15(19)23/h6-7,11,17H,2-5,8-10H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate has a molecular weight of 351.36 g/mol, XLogP of 0.22, 9 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) 5-[[(2,5-dioxopyrrol-1-yl)amino]methyl]heptanoate is sourced from PubChem (CID 174833612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).