5-aminopiperidine-2,5-dicarboxylic acid

C7H12N2O4 — CID 169145111

IUPAC5-aminopiperidine-2,5-dicarboxylic acid
SMILESNC1(C(=O)O)CCC(C(=O)O)NC1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)2-1-4(5(10)11)9-3-7/h4,9H,1-3,8H2,(H,10,11)(H,12,13)
InChIKeyQAAVTFSPXTZZMG-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.39
Rot. Bonds2

About 5-aminopiperidine-2,5-dicarboxylic acid

5-aminopiperidine-2,5-dicarboxylic acid (PubChem CID 169145111) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-aminopiperidine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name5-aminopiperidine-2,5-dicarboxylic acid
PubChem CID169145111
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name5-aminopiperidine-2,5-dicarboxylic acid
SMILESNC1(C(=O)O)CCC(C(=O)O)NC1
InChIInChI=1S/C7H12N2O4/c8-7(6(12)13)2-1-4(5(10)11)9-3-7/h4,9H,1-3,8H2,(H,10,11)(H,12,13)
InChIKeyQAAVTFSPXTZZMG-UHFFFAOYSA-N
XLogP-1.39
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-aminopiperidine-2,5-dicarboxylic acid?
The IUPAC name of 5-aminopiperidine-2,5-dicarboxylic acid (CID 169145111) is 5-aminopiperidine-2,5-dicarboxylic acid.
What is the SMILES notation for 5-aminopiperidine-2,5-dicarboxylic acid?
The canonical SMILES for 5-aminopiperidine-2,5-dicarboxylic acid is NC1(C(=O)O)CCC(C(=O)O)NC1.
What is the InChIKey of 5-aminopiperidine-2,5-dicarboxylic acid?
The InChIKey is QAAVTFSPXTZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-7(6(12)13)2-1-4(5(10)11)9-3-7/h4,9H,1-3,8H2,(H,10,11)(H,12,13).
What are the key properties of 5-aminopiperidine-2,5-dicarboxylic acid?
5-aminopiperidine-2,5-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopiperidine-2,5-dicarboxylic acid is sourced from PubChem (CID 169145111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).