6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid

C13H20N2O5 — CID 43352928

IUPAC6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c16-10(14-8-3-1-2-4-13(19)20)7-9-15-11(17)5-6-12(15)18/h1-9H2,(H,14,16)(H,19,20)
InChIKeyFFMCMUIJAFSDFI-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.29
Rot. Bonds9

About 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid

6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid (PubChem CID 43352928) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
PubChem CID43352928
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c16-10(14-8-3-1-2-4-13(19)20)7-9-15-11(17)5-6-12(15)18/h1-9H2,(H,14,16)(H,19,20)
InChIKeyFFMCMUIJAFSDFI-UHFFFAOYSA-N
XLogP0.29
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid (CID 43352928) is 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid?
The InChIKey is FFMCMUIJAFSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-10(14-8-3-1-2-4-13(19)20)7-9-15-11(17)5-6-12(15)18/h1-9H2,(H,14,16)(H,19,20).
What are the key properties of 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid?
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid is sourced from PubChem (CID 43352928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).