(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate

C9H14N2O4 — CID 129055925

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
SMILESNCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h1-6,10H2
InChIKeyWVNVOZXJZWPCBA-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.28
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate (PubChem CID 129055925) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
PubChem CID129055925
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
SMILESNCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h1-6,10H2
InChIKeyWVNVOZXJZWPCBA-UHFFFAOYSA-N
XLogP-0.28
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate (CID 129055925) is (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate is NCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate?
The InChIKey is WVNVOZXJZWPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c10-6-2-1-3-9(14)15-11-7(12)4-5-8(11)13/h1-6,10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate has a molecular weight of 214.22 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate is sourced from PubChem (CID 129055925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).