3-aminopropanoic acid;oxalic acid;piperidin-4-ol

C10H20N2O7 — CID 67830405

IUPAC3-aminopropanoic acid;oxalic acid;piperidin-4-ol
SMILESNCCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C3H7NO2.C2H2O4/c7-5-1-3-6-4-2-5;4-2-1-3(5)6;3-1(4)2(5)6/h5-7H,1-4H2;1-2,4H2,(H,5,6);(H,3,4)(H,5,6)
InChIKeyBVHSHOYDLWKHOV-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.69
Rot. Bonds2

About 3-aminopropanoic acid;oxalic acid;piperidin-4-ol

3-aminopropanoic acid;oxalic acid;piperidin-4-ol (PubChem CID 67830405) has the molecular formula C10H20N2O7 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-aminopropanoic acid;oxalic acid;piperidin-4-ol.

Molecular Properties

Compound Name3-aminopropanoic acid;oxalic acid;piperidin-4-ol
PubChem CID67830405
Molecular FormulaC10H20N2O7
Molecular Weight280.28 g/mol
Exact Mass280.13
IUPAC Name3-aminopropanoic acid;oxalic acid;piperidin-4-ol
SMILESNCCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C3H7NO2.C2H2O4/c7-5-1-3-6-4-2-5;4-2-1-3(5)6;3-1(4)2(5)6/h5-7H,1-4H2;1-2,4H2,(H,5,6);(H,3,4)(H,5,6)
InChIKeyBVHSHOYDLWKHOV-UHFFFAOYSA-N
XLogP-1.69
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 56
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-aminopropanoic acid;oxalic acid;piperidin-4-ol?
The IUPAC name of 3-aminopropanoic acid;oxalic acid;piperidin-4-ol (CID 67830405) is 3-aminopropanoic acid;oxalic acid;piperidin-4-ol.
What is the SMILES notation for 3-aminopropanoic acid;oxalic acid;piperidin-4-ol?
The canonical SMILES for 3-aminopropanoic acid;oxalic acid;piperidin-4-ol is NCCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1.
What is the InChIKey of 3-aminopropanoic acid;oxalic acid;piperidin-4-ol?
The InChIKey is BVHSHOYDLWKHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H7NO2.C2H2O4/c7-5-1-3-6-4-2-5;4-2-1-3(5)6;3-1(4)2(5)6/h5-7H,1-4H2;1-2,4H2,(H,5,6);(H,3,4)(H,5,6).
What are the key properties of 3-aminopropanoic acid;oxalic acid;piperidin-4-ol?
3-aminopropanoic acid;oxalic acid;piperidin-4-ol has a molecular weight of 280.28 g/mol, XLogP of -1.69, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;oxalic acid;piperidin-4-ol is sourced from PubChem (CID 67830405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).