3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid

C10H18N2O6 — CID 161151431

IUPAC3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid
SMILESNCCC(=O)N1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H16N2O2.C2H2O4/c9-4-1-8(12)10-5-2-7(11)3-6-10;3-1(4)2(5)6/h7,11H,1-6,9H2;(H,3,4)(H,5,6)
InChIKeyUOSORJKHXOKUKG-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.53
Rot. Bonds2

About 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid

3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid (PubChem CID 161151431) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid.

Molecular Properties

Compound Name3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid
PubChem CID161151431
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid
SMILESNCCC(=O)N1CCC(O)CC1.O=C(O)C(=O)O
InChIInChI=1S/C8H16N2O2.C2H2O4/c9-4-1-8(12)10-5-2-7(11)3-6-10;3-1(4)2(5)6/h7,11H,1-6,9H2;(H,3,4)(H,5,6)
InChIKeyUOSORJKHXOKUKG-UHFFFAOYSA-N
XLogP-1.53
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid?
The IUPAC name of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid (CID 161151431) is 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid.
What is the SMILES notation for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid?
The canonical SMILES for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid is NCCC(=O)N1CCC(O)CC1.O=C(O)C(=O)O.
What is the InChIKey of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid?
The InChIKey is UOSORJKHXOKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H2O4/c9-4-1-8(12)10-5-2-7(11)3-6-10;3-1(4)2(5)6/h7,11H,1-6,9H2;(H,3,4)(H,5,6).
What are the key properties of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid?
3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid has a molecular weight of 262.26 g/mol, XLogP of -1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;oxalic acid is sourced from PubChem (CID 161151431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).