(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

C18H23N3O7 — CID 88533863

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCNC(=O)CCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C18H23N3O7/c1-12-11-16(25)21(18(12)27)28-17(26)5-3-2-4-9-19-13(22)8-10-20-14(23)6-7-15(20)24/h6-7,12H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyWVVIBPCMMYZHAI-UHFFFAOYSA-N
MW393.40 g/mol
LogP-0.17
Rot. Bonds10

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (PubChem CID 88533863) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
PubChem CID88533863
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCNC(=O)CCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C18H23N3O7/c1-12-11-16(25)21(18(12)27)28-17(26)5-3-2-4-9-19-13(22)8-10-20-14(23)6-7-15(20)24/h6-7,12H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyWVVIBPCMMYZHAI-UHFFFAOYSA-N
XLogP-0.17
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 5-0.17
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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Related Compounds

N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-Succinimidyl 6-[[4-(N-Maleimidomethyl)cyclohexyl]carboxamido]hexanoate
CID 3564731
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 58661634
8-[3-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)propionylamino]octanoic acid 2,5-dioxopyrrolidin-1-yl ester
CID 87218236
(2,5-dioxopyrrolidin-1-yl) 6-[[(2R)-2-(2,5-dioxopyrrol-1-yl)propanoyl]amino]hexanoate
CID 87255867
(2,5-Dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate
CID 87617279
[[2-(2,5-Dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoyl]amino] hexanoate
CID 87735328
(2,5-Dioxopyrrolidin-1-yl) 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 88121194
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 88533861

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate (CID 88533863) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is CC1CC(=O)N(OC(=O)CCCCCNC(=O)CCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
The InChIKey is WVVIBPCMMYZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7/c1-12-11-16(25)21(18(12)27)28-17(26)5-3-2-4-9-19-13(22)8-10-20-14(23)6-7-15(20)24/h6-7,12H,2-5,8-11H2,1H3,(H,19,22).
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate has a molecular weight of 393.40 g/mol, XLogP of -0.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate is sourced from PubChem (CID 88533863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).