4-amino-3-ethylpiperidine-1-carboxylic acid

C8H16N2O2 — CID 90001260

IUPAC4-amino-3-ethylpiperidine-1-carboxylic acid
SMILESCCC1CN(C(=O)O)CCC1N
InChIInChI=1S/C8H16N2O2/c1-2-6-5-10(8(11)12)4-3-7(6)9/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyXJGMHKQQWYUXMU-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.72
Rot. Bonds1

About 4-amino-3-ethylpiperidine-1-carboxylic acid

4-amino-3-ethylpiperidine-1-carboxylic acid (PubChem CID 90001260) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-amino-3-ethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-ethylpiperidine-1-carboxylic acid
PubChem CID90001260
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-amino-3-ethylpiperidine-1-carboxylic acid
SMILESCCC1CN(C(=O)O)CCC1N
InChIInChI=1S/C8H16N2O2/c1-2-6-5-10(8(11)12)4-3-7(6)9/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyXJGMHKQQWYUXMU-UHFFFAOYSA-N
XLogP0.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
CID 81456843
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
CID 166745692
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 142793720
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-amino-3-ethylpiperidine-1-carboxylic acid (CID 90001260) is 4-amino-3-ethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-ethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-3-ethylpiperidine-1-carboxylic acid is CCC1CN(C(=O)O)CCC1N.
What is the InChIKey of 4-amino-3-ethylpiperidine-1-carboxylic acid?
The InChIKey is XJGMHKQQWYUXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-6-5-10(8(11)12)4-3-7(6)9/h6-7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 4-amino-3-ethylpiperidine-1-carboxylic acid?
4-amino-3-ethylpiperidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 90001260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).