2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid

C14H23NO5 — CID 67829942

IUPAC2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid
SMILESCCCCCCCC(OC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-2-3-4-5-6-7-11(13(17)18)20-14(19)10-8-9-12(16)15-10/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1
InChIKeyHVHPASFYOWXZCO-VUWPPUDQSA-N
MW285.34 g/mol
LogP1.62
Rot. Bonds9

About 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid

2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid (PubChem CID 67829942) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid.

Molecular Properties

Compound Name2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid
PubChem CID67829942
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid
SMILESCCCCCCCC(OC(=O)[C@@H]1CCC(=O)N1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-2-3-4-5-6-7-11(13(17)18)20-14(19)10-8-9-12(16)15-10/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1
InChIKeyHVHPASFYOWXZCO-VUWPPUDQSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonan-2-yl 5-oxopyrrolidine-2-carboxylate
CID 19939356
(1-ethoxy-1-oxohexan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839940
hexadecan-3-yl (2S)-5-oxopyrrolidine-2-carboxylate
CID 56842365
(1-octadeca-9,12-dienoxy-1-oxooctan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 54239764
tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
octyl 5-oxopyrrolidine-2-carboxylate
CID 3861700
dodecanoyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 90778333
octadecanoyl 5-oxopyrrolidine-2-carboxylate
CID 21290752

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid?
The IUPAC name of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid (CID 67829942) is 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid.
What is the SMILES notation for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid?
The canonical SMILES for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid is CCCCCCCC(OC(=O)[C@@H]1CCC(=O)N1)C(=O)O.
What is the InChIKey of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid?
The InChIKey is HVHPASFYOWXZCO-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H23NO5/c1-2-3-4-5-6-7-11(13(17)18)20-14(19)10-8-9-12(16)15-10/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10-,11?/m0/s1.
What are the key properties of 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid?
2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid is sourced from PubChem (CID 67829942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).