2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol

C12H24N2O7 — CID 67829602

IUPAC2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol
SMILESCN(C)CC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-5(2)3-4(6)7;3-1(4)2(5)6/h6-8H,1-5H2;3H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyJHXLLMQHQMRUOU-UHFFFAOYSA-N
MW308.33 g/mol
LogP-1.23
Rot. Bonds3

About 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol

2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol (PubChem CID 67829602) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol.

Molecular Properties

Compound Name2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol
PubChem CID67829602
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol
SMILESCN(C)CC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-5(2)3-4(6)7;3-1(4)2(5)6/h6-8H,1-5H2;3H2,1-2H3,(H,6,7);(H,3,4)(H,5,6)
InChIKeyJHXLLMQHQMRUOU-UHFFFAOYSA-N
XLogP-1.23
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 ≤ 5-1.23
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 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol?
The IUPAC name of 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol (CID 67829602) is 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol.
What is the SMILES notation for 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol?
The canonical SMILES for 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol is CN(C)CC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1.
What is the InChIKey of 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol?
The InChIKey is JHXLLMQHQMRUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H9NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;1-5(2)3-4(6)7;3-1(4)2(5)6/h6-8H,1-5H2;3H2,1-2H3,(H,6,7);(H,3,4)(H,5,6).
What are the key properties of 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol?
2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol has a molecular weight of 308.33 g/mol, XLogP of -1.23, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol is sourced from PubChem (CID 67829602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).