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

C13H25NO3 — CID 55147081

IUPAC2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCOC(CCN1CCCCC1CC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-3-11-7-5-6-9-14(11)10-8-12(13(15)16)17-4-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyPFQFEGNLKSAPCN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

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

2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid (PubChem CID 55147081) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
PubChem CID55147081
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
SMILESCCOC(CCN1CCCCC1CC)C(=O)O
InChIInChI=1S/C13H25NO3/c1-3-11-7-5-6-9-14(11)10-8-12(13(15)16)17-4-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyPFQFEGNLKSAPCN-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
2-ethoxy-3-(2-methylpiperidin-1-yl)propanoic acid
CID 63069094
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
CID 104689096
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxypropanoic acid
CID 79924761

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid (CID 55147081) is 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid is CCOC(CCN1CCCCC1CC)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid?
The InChIKey is PFQFEGNLKSAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-11-7-5-6-9-14(11)10-8-12(13(15)16)17-4-2/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid?
2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 55147081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).