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

C12H24N2O7 — CID 67829841

IUPAC2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-4(2,5)3(6)7;3-1(4)2(5)6/h6-8H,1-5H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyZSOXVNPMNUMNCO-UHFFFAOYSA-N
MW308.33 g/mol
LogP-1.06
Rot. Bonds2

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

2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol (PubChem CID 67829841) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol.

Molecular Properties

Compound Name2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol
PubChem CID67829841
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol
SMILESCC(C)(N)C(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-4(2,5)3(6)7;3-1(4)2(5)6/h6-8H,1-5H2;5H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyZSOXVNPMNUMNCO-UHFFFAOYSA-N
XLogP-1.06
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.33
LogP ≤ 5-1.06
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;piperidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Piperidinecarboxylic acid, 4-amino-, ethyl ester, ethanedioate (1:2)
CID 3044666
4-Piperidinecarboxylic acid, 4-amino-, butyl ester, ethanedioate (1:2)
CID 3044668
4-Piperidinecarboxylic acid, 4-amino-, pentyl ester, ethanedioate (1:2)
CID 3044670
[1-(3-Aminopropyl)piperidin-4-yl]methanol;oxalic acid
CID 19104116
3-Aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol
CID 67829423
2-Amino-2-methylpropanoic acid;oxalic acid;2-piperidin-4-ylethanol
CID 67829425
2-(Dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol
CID 67829602
2-Amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ol
CID 67829607

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The IUPAC name of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol (CID 67829841) is 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol.
What is the SMILES notation for 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The canonical SMILES for 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol is CC(C)(N)C(=O)O.O=C(O)C(=O)O.OCC1CCNCC1.
What is the InChIKey of 2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The InChIKey is ZSOXVNPMNUMNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-4(2,5)3(6)7;3-1(4)2(5)6/h6-8H,1-5H2;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-ylmethanol?
2-amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol has a molecular weight of 308.33 g/mol, XLogP of -1.06, 2 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-ylmethanol is sourced from PubChem (CID 67829841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).