1-(2-aminooxyethyl)piperidine-3-carboxylic acid

C8H16N2O3 — CID 19971670

IUPAC1-(2-aminooxyethyl)piperidine-3-carboxylic acid
SMILESNOCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H16N2O3/c9-13-5-4-10-3-1-2-7(6-10)8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyXGHYEYLRBYIZKN-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.33
Rot. Bonds4

About 1-(2-aminooxyethyl)piperidine-3-carboxylic acid

1-(2-aminooxyethyl)piperidine-3-carboxylic acid (PubChem CID 19971670) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-aminooxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminooxyethyl)piperidine-3-carboxylic acid
PubChem CID19971670
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-(2-aminooxyethyl)piperidine-3-carboxylic acid
SMILESNOCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H16N2O3/c9-13-5-4-10-3-1-2-7(6-10)8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyXGHYEYLRBYIZKN-UHFFFAOYSA-N
XLogP-0.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethyl)-3-piperidinecarboxylic acid
CID 21266355
1-(2-Methylpropyl)piperidine-3-carboxylic acid
CID 16769591
1-Ethylpiperidine-3-carboxylic acid hydrochloride
CID 45075038
3-Carboxy-1,1-dimethylpiperidin-1-ium chloride
CID 44382203
1-Ethylpiperidine-3-carboxylic acid
CID 22056640
Rac-ethyl 1-(3-hydroxypropyl)piperidine-3-carboxylate
CID 19261840
Rac-1-(3-hydroxypropyl)piperidine-3-carboxylic acid
CID 20696590
1-Butyl-3-piperidinecarboxylic acid
CID 22662736
Rac-1-(4-hydroxybutyl)piperidine-3-carboxylic acid
CID 61669565
5-Methyl-1-(3-methylbutyl)piperidine-3-carboxylic acid
CID 122121813
1,1-Dimethylpiperidin-1-ium-3-carboxylic acid
CID 44382204
1-(2-Hydroxyethyl)piperidin-1-ium-3-carboxylate
CID 75694497

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminooxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminooxyethyl)piperidine-3-carboxylic acid (CID 19971670) is 1-(2-aminooxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminooxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminooxyethyl)piperidine-3-carboxylic acid is NOCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-aminooxyethyl)piperidine-3-carboxylic acid?
The InChIKey is XGHYEYLRBYIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-13-5-4-10-3-1-2-7(6-10)8(11)12/h7H,1-6,9H2,(H,11,12).
What are the key properties of 1-(2-aminooxyethyl)piperidine-3-carboxylic acid?
1-(2-aminooxyethyl)piperidine-3-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminooxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 19971670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).