(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate

C14H21NO7 — CID 22178419

IUPAC(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate
SMILESCCCCC(=O)OC1C(=O)N(O)C(=O)C1OC(=O)CCCC
InChIInChI=1S/C14H21NO7/c1-3-5-7-9(16)21-11-12(14(19)15(20)13(11)18)22-10(17)8-6-4-2/h11-12,20H,3-8H2,1-2H3
InChIKeyCHWLCJCLXBGJKS-UHFFFAOYSA-N
MW315.32 g/mol
LogP0.95
Rot. Bonds8

About (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate

(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate (PubChem CID 22178419) has the molecular formula C14H21NO7 and a molecular weight of 315.32 g/mol. Its IUPAC name is (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate.

Molecular Properties

Compound Name(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate
PubChem CID22178419
Molecular FormulaC14H21NO7
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate
SMILESCCCCC(=O)OC1C(=O)N(O)C(=O)C1OC(=O)CCCC
InChIInChI=1S/C14H21NO7/c1-3-5-7-9(16)21-11-12(14(19)15(20)13(11)18)22-10(17)8-6-4-2/h11-12,20H,3-8H2,1-2H3
InChIKeyCHWLCJCLXBGJKS-UHFFFAOYSA-N
XLogP0.95
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
CID 70110092
(1,2,5-trihydroxy-4-pentanoyloxypyrrol-3-yl) pentanoate
CID 91501066
(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate
CID 156841489
oxetan-3-yl pentanoate
CID 54206985
dipentanoyl hexanedioate
CID 174373362
(1-hydroxypiperidin-4-yl) octanoate
CID 21019115
(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 77273169
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl] pentanoate
CID 174696652
cyclopropyl decanoate
CID 154321154
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
piperidin-4-yl pentanoate
CID 45091374
(3-oxo-2-pentylcyclopentyl) pentanoate
CID 91315520

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate?
The IUPAC name of (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate (CID 22178419) is (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate.
What is the SMILES notation for (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate?
The canonical SMILES for (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate is CCCCC(=O)OC1C(=O)N(O)C(=O)C1OC(=O)CCCC.
What is the InChIKey of (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate?
The InChIKey is CHWLCJCLXBGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO7/c1-3-5-7-9(16)21-11-12(14(19)15(20)13(11)18)22-10(17)8-6-4-2/h11-12,20H,3-8H2,1-2H3.
What are the key properties of (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate?
(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate has a molecular weight of 315.32 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate is sourced from PubChem (CID 22178419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).