3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid

C14H24N2O3 — CID 115448478

IUPAC3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
SMILESNCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-14(6-2-7-14)13(19)16-8-1-3-11(9-16)4-5-12(17)18/h11H,1-10,15H2,(H,17,18)
InChIKeyJKSYKEVAEAUQMC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds5

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

3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid (PubChem CID 115448478) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
PubChem CID115448478
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
SMILESNCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-14(6-2-7-14)13(19)16-8-1-3-11(9-16)4-5-12(17)18/h11H,1-10,15H2,(H,17,18)
InChIKeyJKSYKEVAEAUQMC-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
CID 115435232
3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
CID 166220958
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
CID 80587348

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid (CID 115448478) is 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid is NCC1(C(=O)N2CCCC(CCC(=O)O)C2)CCC1.
What is the InChIKey of 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is JKSYKEVAEAUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-10-14(6-2-7-14)13(19)16-8-1-3-11(9-16)4-5-12(17)18/h11H,1-10,15H2,(H,17,18).
What are the key properties of 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid?
3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 115448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).