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

C11H22N2O7 — CID 67829423

IUPAC3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol
SMILESNCCC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C3H7NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;4-2-1-3(5)6;3-1(4)2(5)6/h6-8H,1-5H2;1-2,4H2,(H,5,6);(H,3,4)(H,5,6)
InChIKeyOTSRCXHXHCUVGU-UHFFFAOYSA-N
MW294.30 g/mol
LogP-1.45
Rot. Bonds3

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

3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol (PubChem CID 67829423) has the molecular formula C11H22N2O7 and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol.

Molecular Properties

Compound Name3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol
PubChem CID67829423
Molecular FormulaC11H22N2O7
Molecular Weight294.30 g/mol
Exact Mass294.14
IUPAC Name3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol
SMILESNCCC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C3H7NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;4-2-1-3(5)6;3-1(4)2(5)6/h6-8H,1-5H2;1-2,4H2,(H,5,6);(H,3,4)(H,5,6)
InChIKeyOTSRCXHXHCUVGU-UHFFFAOYSA-N
XLogP-1.45
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-Aminopropyl)piperidin-4-yl]methanol;oxalic acid
CID 19104116
Oxalic acid;2-piperidin-4-ylethanol
CID 19104136
[1-(2-Aminoethyl)piperidin-4-yl]methanol;oxalic acid
CID 19104141
2-(Dimethylamino)acetic acid;oxalic acid;piperidin-4-ylmethanol
CID 67829602
2-Amino-2-methylpropanoic acid;oxalic acid;piperidin-4-ylmethanol
CID 67829841
3-Aminopropanoic acid;oxalic acid;2-piperidin-4-ylethanol
CID 67830398
3-Aminopropanoic acid;oxalic acid;piperidin-4-ol
CID 67830405
Piperidin-4-ylmethanol;propanoic acid
CID 157302555
Oxalic acid;piperidine-4-carboxylic acid
CID 162248653
4-(Ethoxymethyl)piperidine oxalate
CID 17390069
2-Hydroxy-4-(piperidine-4-carbonylamino)butanoic acid
CID 107836229
(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid
CID 107836516

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The IUPAC name of 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol (CID 67829423) is 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol.
What is the SMILES notation for 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The canonical SMILES for 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol is NCCC(=O)O.O=C(O)C(=O)O.OCC1CCNCC1.
What is the InChIKey of 3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol?
The InChIKey is OTSRCXHXHCUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H7NO2.C2H2O4/c8-5-6-1-3-7-4-2-6;4-2-1-3(5)6;3-1(4)2(5)6/h6-8H,1-5H2;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-ylmethanol?
3-aminopropanoic acid;oxalic acid;piperidin-4-ylmethanol has a molecular weight of 294.30 g/mol, XLogP of -1.45, 3 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-ylmethanol is sourced from PubChem (CID 67829423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).