(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate

C17H21N3O7 — CID 87255867

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
SMILESC[C@H](C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26)/t11-/m1/s1
InChIKeyJIZIGMATQVGYQY-LLVKDONJSA-N
MW379.37 g/mol
LogP-0.42
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate (PubChem CID 87255867) has the molecular formula C17H21N3O7 and a molecular weight of 379.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
PubChem CID87255867
Molecular FormulaC17H21N3O7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
SMILESC[C@H](C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26)/t11-/m1/s1
InChIKeyJIZIGMATQVGYQY-LLVKDONJSA-N
XLogP-0.42
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate (CID 87255867) is (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate is C[C@H](C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate?
The InChIKey is JIZIGMATQVGYQY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O7/c1-11(19-12(21)6-7-13(19)22)17(26)18-10-4-2-3-5-16(25)27-20-14(23)8-9-15(20)24/h6-7,11H,2-5,8-10H2,1H3,(H,18,26)/t11-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate has a molecular weight of 379.37 g/mol, XLogP of -0.42, 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) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate is sourced from PubChem (CID 87255867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).