2-aminoacetic acid;oxalic acid;piperidin-4-ol

C9H18N2O7 — CID 67829819

IUPAC2-aminoacetic acid;oxalic acid;piperidin-4-ol
SMILESNCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C2H5NO2.C2H2O4/c7-5-1-3-6-4-2-5;3-1-2(4)5;3-1(4)2(5)6/h5-7H,1-4H2;1,3H2,(H,4,5);(H,3,4)(H,5,6)
InChIKeyGJKMVILJFZRGQW-UHFFFAOYSA-N
MW266.25 g/mol
LogP-2.08
Rot. Bonds1

About 2-aminoacetic acid;oxalic acid;piperidin-4-ol

2-aminoacetic acid;oxalic acid;piperidin-4-ol (PubChem CID 67829819) has the molecular formula C9H18N2O7 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-aminoacetic acid;oxalic acid;piperidin-4-ol.

Molecular Properties

Compound Name2-aminoacetic acid;oxalic acid;piperidin-4-ol
PubChem CID67829819
Molecular FormulaC9H18N2O7
Molecular Weight266.25 g/mol
Exact Mass266.11
IUPAC Name2-aminoacetic acid;oxalic acid;piperidin-4-ol
SMILESNCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C2H5NO2.C2H2O4/c7-5-1-3-6-4-2-5;3-1-2(4)5;3-1(4)2(5)6/h5-7H,1-4H2;1,3H2,(H,4,5);(H,3,4)(H,5,6)
InChIKeyGJKMVILJFZRGQW-UHFFFAOYSA-N
XLogP-2.08
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;oxalic acid;piperidin-4-ol 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-aminoacetic acid;oxalic acid;piperidin-4-ol?
The IUPAC name of 2-aminoacetic acid;oxalic acid;piperidin-4-ol (CID 67829819) is 2-aminoacetic acid;oxalic acid;piperidin-4-ol.
What is the SMILES notation for 2-aminoacetic acid;oxalic acid;piperidin-4-ol?
The canonical SMILES for 2-aminoacetic acid;oxalic acid;piperidin-4-ol is NCC(=O)O.O=C(O)C(=O)O.OC1CCNCC1.
What is the InChIKey of 2-aminoacetic acid;oxalic acid;piperidin-4-ol?
The InChIKey is GJKMVILJFZRGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H5NO2.C2H2O4/c7-5-1-3-6-4-2-5;3-1-2(4)5;3-1(4)2(5)6/h5-7H,1-4H2;1,3H2,(H,4,5);(H,3,4)(H,5,6).
What are the key properties of 2-aminoacetic acid;oxalic acid;piperidin-4-ol?
2-aminoacetic acid;oxalic acid;piperidin-4-ol has a molecular weight of 266.25 g/mol, XLogP of -2.08, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;oxalic acid;piperidin-4-ol is sourced from PubChem (CID 67829819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).