3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid

C15H25NO3 — CID 75483564

IUPAC3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
SMILESCCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1
InChIInChI=1S/C15H25NO3/c1-2-15(8-4-9-15)14(19)16-10-3-5-12(11-16)6-7-13(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyHXYGVVOOTQLIEV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds5

About 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid

3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid (PubChem CID 75483564) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
PubChem CID75483564
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
SMILESCCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1
InChIInChI=1S/C15H25NO3/c1-2-15(8-4-9-15)14(19)16-10-3-5-12(11-16)6-7-13(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyHXYGVVOOTQLIEV-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
CID 115448478
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
CID 166220958
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid (CID 75483564) is 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid is CCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1.
What is the InChIKey of 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is HXYGVVOOTQLIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-15(8-4-9-15)14(19)16-10-3-5-12(11-16)6-7-13(17)18/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid?
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 75483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).