oxalic acid;pentyl 4-aminopiperidine-4-carboxylate

C13H24N2O6 — CID 3044670

IUPACoxalic acid;pentyl 4-aminopiperidine-4-carboxylate
SMILESCCCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2.C2H2O4/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11;3-1(4)2(5)6/h13H,2-9,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyWUBWEOYMRNINDP-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.04
Rot. Bonds5

About oxalic acid;pentyl 4-aminopiperidine-4-carboxylate

oxalic acid;pentyl 4-aminopiperidine-4-carboxylate (PubChem CID 3044670) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is oxalic acid;pentyl 4-aminopiperidine-4-carboxylate.

Molecular Properties

Compound Nameoxalic acid;pentyl 4-aminopiperidine-4-carboxylate
PubChem CID3044670
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Nameoxalic acid;pentyl 4-aminopiperidine-4-carboxylate
SMILESCCCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2.C2H2O4/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11;3-1(4)2(5)6/h13H,2-9,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyWUBWEOYMRNINDP-UHFFFAOYSA-N
XLogP-0.04
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;pentyl 4-aminopiperidine-4-carboxylate?
The IUPAC name of oxalic acid;pentyl 4-aminopiperidine-4-carboxylate (CID 3044670) is oxalic acid;pentyl 4-aminopiperidine-4-carboxylate.
What is the SMILES notation for oxalic acid;pentyl 4-aminopiperidine-4-carboxylate?
The canonical SMILES for oxalic acid;pentyl 4-aminopiperidine-4-carboxylate is CCCCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;pentyl 4-aminopiperidine-4-carboxylate?
The InChIKey is WUBWEOYMRNINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H2O4/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11;3-1(4)2(5)6/h13H,2-9,12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pentyl 4-aminopiperidine-4-carboxylate?
oxalic acid;pentyl 4-aminopiperidine-4-carboxylate has a molecular weight of 304.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pentyl 4-aminopiperidine-4-carboxylate is sourced from PubChem (CID 3044670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).