3-aminopiperidine-1,3-dicarboxylic acid

C7H12N2O4 — CID 22318426

IUPAC3-aminopiperidine-1,3-dicarboxylic acid
SMILESNC1(C(=O)O)CCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13)
InChIKeyKMPILUJZGHTMGC-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.46
Rot. Bonds1

About 3-aminopiperidine-1,3-dicarboxylic acid

3-aminopiperidine-1,3-dicarboxylic acid (PubChem CID 22318426) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-aminopiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-aminopiperidine-1,3-dicarboxylic acid
PubChem CID22318426
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-aminopiperidine-1,3-dicarboxylic acid
SMILESNC1(C(=O)O)CCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13)
InChIKeyKMPILUJZGHTMGC-UHFFFAOYSA-N
XLogP-0.46
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidine-1,3-dicarboxylic acid?
The IUPAC name of 3-aminopiperidine-1,3-dicarboxylic acid (CID 22318426) is 3-aminopiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-aminopiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-aminopiperidine-1,3-dicarboxylic acid is NC1(C(=O)O)CCCN(C(=O)O)C1.
What is the InChIKey of 3-aminopiperidine-1,3-dicarboxylic acid?
The InChIKey is KMPILUJZGHTMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-7(5(10)11)2-1-3-9(4-7)6(12)13/h1-4,8H2,(H,10,11)(H,12,13).
What are the key properties of 3-aminopiperidine-1,3-dicarboxylic acid?
3-aminopiperidine-1,3-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 22318426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).