1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid

C14H21N3O3 — CID 90455756

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid
SMILESCCOC1CCCN(c2ccc(CN)cn2)C1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-2-20-11-4-3-7-17(13(11)14(18)19)12-6-5-10(8-15)9-16-12/h5-6,9,11,13H,2-4,7-8,15H2,1H3,(H,18,19)
InChIKeyDRBZIKCHKQHQJA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid

1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid (PubChem CID 90455756) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid
PubChem CID90455756
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid
SMILESCCOC1CCCN(c2ccc(CN)cn2)C1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-2-20-11-4-3-7-17(13(11)14(18)19)12-6-5-10(8-15)9-16-12/h5-6,9,11,13H,2-4,7-8,15H2,1H3,(H,18,19)
InChIKeyDRBZIKCHKQHQJA-UHFFFAOYSA-N
XLogP1.00
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
[6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62344994
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid (CID 90455756) is 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid is CCOC1CCCN(c2ccc(CN)cn2)C1C(=O)O.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid?
The InChIKey is DRBZIKCHKQHQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-11-4-3-7-17(13(11)14(18)19)12-6-5-10(8-15)9-16-12/h5-6,9,11,13H,2-4,7-8,15H2,1H3,(H,18,19).
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid?
1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-3-ethoxypiperidine-2-carboxylic acid is sourced from PubChem (CID 90455756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).