1-(ethylamino)piperidine-4-carboxylic acid

C8H16N2O2 — CID 22448027

IUPAC1-(ethylamino)piperidine-4-carboxylic acid
SMILESCCNN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-10-5-3-7(4-6-10)8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyGGFYTGKHBSYTHX-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.31
Rot. Bonds3

About 1-(ethylamino)piperidine-4-carboxylic acid

1-(ethylamino)piperidine-4-carboxylic acid (PubChem CID 22448027) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(ethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)piperidine-4-carboxylic acid
PubChem CID22448027
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(ethylamino)piperidine-4-carboxylic acid
SMILESCCNN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-10-5-3-7(4-6-10)8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyGGFYTGKHBSYTHX-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(ethylamino)piperidine-4-carboxylic acid (CID 22448027) is 1-(ethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(ethylamino)piperidine-4-carboxylic acid is CCNN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(ethylamino)piperidine-4-carboxylic acid?
The InChIKey is GGFYTGKHBSYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-9-10-5-3-7(4-6-10)8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 1-(ethylamino)piperidine-4-carboxylic acid?
1-(ethylamino)piperidine-4-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 22448027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).