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

C15H26N2O3 — CID 81046858

IUPAC3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(8-14(19)20)12-4-2-7-17(10-12)13(18)9-15(16)5-3-6-15/h11-12H,2-10,16H2,1H3,(H,19,20)
InChIKeySAWIKTUDIKRWQJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds5

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

3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid (PubChem CID 81046858) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
PubChem CID81046858
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(8-14(19)20)12-4-2-7-17(10-12)13(18)9-15(16)5-3-6-15/h11-12H,2-10,16H2,1H3,(H,19,20)
InChIKeySAWIKTUDIKRWQJ-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
CID 81176622
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-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid (CID 81046858) is 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)CC2(N)CCC2)C1.
What is the InChIKey of 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid?
The InChIKey is SAWIKTUDIKRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(8-14(19)20)12-4-2-7-17(10-12)13(18)9-15(16)5-3-6-15/h11-12H,2-10,16H2,1H3,(H,19,20).
What are the key properties of 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).