2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol

C11H22N2O7 — CID 67829607

IUPAC2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C4H9NO2.C2H2O4/c7-5-1-3-6-4-2-5;1-4(2,5)3(6)7;3-1(4)2(5)6/h5-7H,1-4H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyOLSVAQIDJKRWAA-UHFFFAOYSA-N
MW294.30 g/mol
LogP-1.31
Rot. Bonds1

About 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol

2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol (PubChem CID 67829607) has the molecular formula C11H22N2O7 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol.

Molecular Properties

Compound Name2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol
PubChem CID67829607
Molecular FormulaC11H22N2O7
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C4H9NO2.C2H2O4/c7-5-1-3-6-4-2-5;1-4(2,5)3(6)7;3-1(4)2(5)6/h5-7H,1-4H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyOLSVAQIDJKRWAA-UHFFFAOYSA-N
XLogP-1.31
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 5-1.31
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 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol?
The IUPAC name of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol (CID 67829607) is 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol.
What is the SMILES notation for 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol?
The canonical SMILES for 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol is CC(C)(N)C(=O)O.O=C(O)C(=O)O.OC1CCNCC1.
What is the InChIKey of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol?
The InChIKey is OLSVAQIDJKRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H9NO2.C2H2O4/c7-5-1-3-6-4-2-5;1-4(2,5)3(6)7;3-1(4)2(5)6/h5-7H,1-4H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6).
What are the key properties of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol?
2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol has a molecular weight of 294.30 g/mol, XLogP of -1.31, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol is sourced from PubChem (CID 67829607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).