3-phenylpropyl 2-(1-aminocyclobutyl)acetate

C15H21NO2 — CID 79845366

IUPAC3-phenylpropyl 2-(1-aminocyclobutyl)acetate
SMILESNC1(CC(=O)OCCCc2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c16-15(9-5-10-15)12-14(17)18-11-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2
InChIKeyMVVGGDJCJLRNPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds6

About 3-phenylpropyl 2-(1-aminocyclobutyl)acetate

3-phenylpropyl 2-(1-aminocyclobutyl)acetate (PubChem CID 79845366) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-phenylpropyl 2-(1-aminocyclobutyl)acetate.

Molecular Properties

Compound Name3-phenylpropyl 2-(1-aminocyclobutyl)acetate
PubChem CID79845366
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-phenylpropyl 2-(1-aminocyclobutyl)acetate
SMILESNC1(CC(=O)OCCCc2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c16-15(9-5-10-15)12-14(17)18-11-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2
InChIKeyMVVGGDJCJLRNPM-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176
3-phenylpropyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240364
bis(3-phenylpropyl) hexanedioate
CID 59854363
bis(3-phenylpropyl) decanedioate
CID 91710064
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
3-phenylpropyl 3-chloro-3-hydroxypropanoate
CID 174637826
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
tert-butyl 3-phenylpropyl carbonate
CID 24789021
3-phenylpropyl 2-thiomorpholin-3-ylacetate
CID 66443916
bis[3-[4-[(E)-2-phenylethenyl]phenyl]propyl] propanedioate
CID 175285475

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 2-(1-aminocyclobutyl)acetate?
The IUPAC name of 3-phenylpropyl 2-(1-aminocyclobutyl)acetate (CID 79845366) is 3-phenylpropyl 2-(1-aminocyclobutyl)acetate.
What is the SMILES notation for 3-phenylpropyl 2-(1-aminocyclobutyl)acetate?
The canonical SMILES for 3-phenylpropyl 2-(1-aminocyclobutyl)acetate is NC1(CC(=O)OCCCc2ccccc2)CCC1.
What is the InChIKey of 3-phenylpropyl 2-(1-aminocyclobutyl)acetate?
The InChIKey is MVVGGDJCJLRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(9-5-10-15)12-14(17)18-11-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2.
What are the key properties of 3-phenylpropyl 2-(1-aminocyclobutyl)acetate?
3-phenylpropyl 2-(1-aminocyclobutyl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 2-(1-aminocyclobutyl)acetate is sourced from PubChem (CID 79845366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).