oxalic acid;1-(3-phenoxypropyl)pyrrolidine

C15H21NO5 — CID 2841432

IUPACoxalic acid;1-(3-phenoxypropyl)pyrrolidine
SMILESO=C(O)C(=O)O.c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C13H19NO.C2H2O4/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14;3-1(4)2(5)6/h1-3,7-8H,4-6,9-12H2;(H,3,4)(H,5,6)
InChIKeyKDQDGSHNLSKTLZ-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.71
Rot. Bonds5

About oxalic acid;1-(3-phenoxypropyl)pyrrolidine

oxalic acid;1-(3-phenoxypropyl)pyrrolidine (PubChem CID 2841432) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is oxalic acid;1-(3-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Nameoxalic acid;1-(3-phenoxypropyl)pyrrolidine
PubChem CID2841432
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nameoxalic acid;1-(3-phenoxypropyl)pyrrolidine
SMILESO=C(O)C(=O)O.c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C13H19NO.C2H2O4/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14;3-1(4)2(5)6/h1-3,7-8H,4-6,9-12H2;(H,3,4)(H,5,6)
InChIKeyKDQDGSHNLSKTLZ-UHFFFAOYSA-N
XLogP1.71
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;1-(3-phenoxypropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-(3-phenoxypropyl)pyrrolidine?
The IUPAC name of oxalic acid;1-(3-phenoxypropyl)pyrrolidine (CID 2841432) is oxalic acid;1-(3-phenoxypropyl)pyrrolidine.
What is the SMILES notation for oxalic acid;1-(3-phenoxypropyl)pyrrolidine?
The canonical SMILES for oxalic acid;1-(3-phenoxypropyl)pyrrolidine is O=C(O)C(=O)O.c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of oxalic acid;1-(3-phenoxypropyl)pyrrolidine?
The InChIKey is KDQDGSHNLSKTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H2O4/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14;3-1(4)2(5)6/h1-3,7-8H,4-6,9-12H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-(3-phenoxypropyl)pyrrolidine?
oxalic acid;1-(3-phenoxypropyl)pyrrolidine has a molecular weight of 295.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-(3-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 2841432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).