5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid

C11H20N2O4 — CID 77498553

IUPAC5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid
SMILESCC(C)CNC1CC(C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(2)4-12-9-3-8(10(14)15)5-13(6-9)11(16)17/h7-9,12H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUJMHPZYFUMHBFK-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.69
Rot. Bonds4

About 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid

5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid (PubChem CID 77498553) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid
PubChem CID77498553
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid
SMILESCC(C)CNC1CC(C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-7(2)4-12-9-3-8(10(14)15)5-13(6-9)11(16)17/h7-9,12H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUJMHPZYFUMHBFK-UHFFFAOYSA-N
XLogP0.69
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid?
The IUPAC name of 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid (CID 77498553) is 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid is CC(C)CNC1CC(C(=O)O)CN(C(=O)O)C1.
What is the InChIKey of 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid?
The InChIKey is UJMHPZYFUMHBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)4-12-9-3-8(10(14)15)5-13(6-9)11(16)17/h7-9,12H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid?
5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 77498553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).