3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol

C12H24N2O7 — CID 67830451

IUPAC3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol
SMILESCN(C)CCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO2.C5H11NO.C2H2O4/c1-6(2)4-3-5(7)8;7-5-1-3-6-4-2-5;3-1(4)2(5)6/h3-4H2,1-2H3,(H,7,8);5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZXKZDOCWSQOKNM-UHFFFAOYSA-N
MW308.33 g/mol
LogP-1.09
Rot. Bonds3

About 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol

3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol (PubChem CID 67830451) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol
PubChem CID67830451
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol
SMILESCN(C)CCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO2.C5H11NO.C2H2O4/c1-6(2)4-3-5(7)8;7-5-1-3-6-4-2-5;3-1(4)2(5)6/h3-4H2,1-2H3,(H,7,8);5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZXKZDOCWSQOKNM-UHFFFAOYSA-N
XLogP-1.09
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol?
The IUPAC name of 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol (CID 67830451) is 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol.
What is the SMILES notation for 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol?
The canonical SMILES for 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol is CN(C)CCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1.
What is the InChIKey of 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol?
The InChIKey is ZXKZDOCWSQOKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H11NO.C2H2O4/c1-6(2)4-3-5(7)8;7-5-1-3-6-4-2-5;3-1(4)2(5)6/h3-4H2,1-2H3,(H,7,8);5-7H,1-4H2;(H,3,4)(H,5,6).
What are the key properties of 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol?
3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol has a molecular weight of 308.33 g/mol, XLogP of -1.09, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanoic acid;oxalic acid;piperidin-4-ol is sourced from PubChem (CID 67830451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).