4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid

C9H18N2O3 — CID 18613677

IUPAC4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid
SMILESCCOC1CN(C(=O)O)CCC1CN
InChIInChI=1S/C9H18N2O3/c1-2-14-8-6-11(9(12)13)4-3-7(8)5-10/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyFTVVTQIKEHSHMR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.35
Rot. Bonds3

About 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid

4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid (PubChem CID 18613677) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid
PubChem CID18613677
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid
SMILESCCOC1CN(C(=O)O)CCC1CN
InChIInChI=1S/C9H18N2O3/c1-2-14-8-6-11(9(12)13)4-3-7(8)5-10/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyFTVVTQIKEHSHMR-UHFFFAOYSA-N
XLogP0.35
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid (CID 18613677) is 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid is CCOC1CN(C(=O)O)CCC1CN.
What is the InChIKey of 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid?
The InChIKey is FTVVTQIKEHSHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-14-8-6-11(9(12)13)4-3-7(8)5-10/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid?
4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-ethoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 18613677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).