2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid

C11H22N2O2 — CID 63028622

IUPAC2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCCN1CCC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-2-9-5-3-4-7-13(9)8-6-10(12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyFTJUTGCFWDPNRZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid

2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid (PubChem CID 63028622) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
PubChem CID63028622
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCCN1CCC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-2-9-5-3-4-7-13(9)8-6-10(12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyFTJUTGCFWDPNRZ-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 55147081
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobutanoic acid
CID 82750702

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid (CID 63028622) is 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid is CCC1CCCCN1CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid?
The InChIKey is FTJUTGCFWDPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9-5-3-4-7-13(9)8-6-10(12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid?
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 63028622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).