2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid

C14H24N2O4 — CID 81169643

IUPAC2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
SMILESNCC1(CC(=O)N2CCC(OCC(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O4/c15-10-14(4-1-5-14)8-12(17)16-6-2-11(3-7-16)20-9-13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeyMYTLBBQWPMBGEI-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.60
Rot. Bonds6

About 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 81169643) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID81169643
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
SMILESNCC1(CC(=O)N2CCC(OCC(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O4/c15-10-14(4-1-5-14)8-12(17)16-6-2-11(3-7-16)20-9-13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeyMYTLBBQWPMBGEI-UHFFFAOYSA-N
XLogP0.60
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
CID 81172470
2-[1-(aminomethyl)cyclobutyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 107219405
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid (CID 81169643) is 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid is NCC1(CC(=O)N2CCC(OCC(=O)O)CC2)CCC1.
What is the InChIKey of 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is MYTLBBQWPMBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c15-10-14(4-1-5-14)8-12(17)16-6-2-11(3-7-16)20-9-13(18)19/h11H,1-10,15H2,(H,18,19).
What are the key properties of 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 81169643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).