3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid

C16H28N2O3 — CID 81176622

IUPAC3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C16H28N2O3/c1-12(8-15(20)21)13-4-2-7-18(10-13)14(19)9-16(11-17)5-3-6-16/h12-13H,2-11,17H2,1H3,(H,20,21)
InChIKeyQZAWTDSLQNQURX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds6

About 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid

3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid (PubChem CID 81176622) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
PubChem CID81176622
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C16H28N2O3/c1-12(8-15(20)21)13-4-2-7-18(10-13)14(19)9-16(11-17)5-3-6-16/h12-13H,2-11,17H2,1H3,(H,20,21)
InChIKeyQZAWTDSLQNQURX-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[(E)-4-aminobut-2-enoyl]piperidin-3-yl]butanoic acid
CID 112746837
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid (CID 81176622) is 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)CC2(CN)CCC2)C1.
What is the InChIKey of 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid?
The InChIKey is QZAWTDSLQNQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(8-15(20)21)13-4-2-7-18(10-13)14(19)9-16(11-17)5-3-6-16/h12-13H,2-11,17H2,1H3,(H,20,21).
What are the key properties of 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid?
3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid has a molecular weight of 296.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81176622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).