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

C13H26N2O7 — CID 67829425

IUPAC2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C4H9NO2.C2H2O4/c9-6-3-7-1-4-8-5-2-7;1-4(2,5)3(6)7;3-1(4)2(5)6/h7-9H,1-6H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyYOAYDUHESCFILO-UHFFFAOYSA-N
MW322.36 g/mol
LogP-0.67
Rot. Bonds3

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

2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol (PubChem CID 67829425) has the molecular formula C13H26N2O7 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol
PubChem CID67829425
Molecular FormulaC13H26N2O7
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Name2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C4H9NO2.C2H2O4/c9-6-3-7-1-4-8-5-2-7;1-4(2,5)3(6)7;3-1(4)2(5)6/h7-9H,1-6H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyYOAYDUHESCFILO-UHFFFAOYSA-N
XLogP-0.67
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol 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 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol?
The IUPAC name of 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol (CID 67829425) is 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol.
What is the SMILES notation for 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol?
The canonical SMILES for 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol is CC(C)(N)C(=O)O.O=C(O)C(=O)O.OCCC1CCNCC1.
What is the InChIKey of 2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol?
The InChIKey is YOAYDUHESCFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C4H9NO2.C2H2O4/c9-6-3-7-1-4-8-5-2-7;1-4(2,5)3(6)7;3-1(4)2(5)6/h7-9H,1-6H2;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;2-piperidin-4-ylethanol?
2-amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol has a molecular weight of 322.36 g/mol, XLogP of -0.67, 3 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;2-piperidin-4-ylethanol is sourced from PubChem (CID 67829425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).