octyl N-[(1S)-2-oxocyclobutyl]carbamate

C13H23NO3 — CID 147728041

IUPACoctyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCCCCCCOC(=O)N[C@H]1CCC1=O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)14-11-8-9-12(11)15/h11H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyGXWMEXYJCUTOJE-NSHDSACASA-N
MW241.33 g/mol
LogP2.80
Rot. Bonds8

About octyl N-[(1S)-2-oxocyclobutyl]carbamate

octyl N-[(1S)-2-oxocyclobutyl]carbamate (PubChem CID 147728041) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is octyl N-[(1S)-2-oxocyclobutyl]carbamate.

Molecular Properties

Compound Nameoctyl N-[(1S)-2-oxocyclobutyl]carbamate
PubChem CID147728041
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoctyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCCCCCCOC(=O)N[C@H]1CCC1=O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)14-11-8-9-12(11)15/h11H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyGXWMEXYJCUTOJE-NSHDSACASA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze octyl N-[(1S)-2-oxocyclobutyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of octyl N-[(1S)-2-oxocyclobutyl]carbamate?
The IUPAC name of octyl N-[(1S)-2-oxocyclobutyl]carbamate (CID 147728041) is octyl N-[(1S)-2-oxocyclobutyl]carbamate.
What is the SMILES notation for octyl N-[(1S)-2-oxocyclobutyl]carbamate?
The canonical SMILES for octyl N-[(1S)-2-oxocyclobutyl]carbamate is CCCCCCCCOC(=O)N[C@H]1CCC1=O.
What is the InChIKey of octyl N-[(1S)-2-oxocyclobutyl]carbamate?
The InChIKey is GXWMEXYJCUTOJE-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-10-17-13(16)14-11-8-9-12(11)15/h11H,2-10H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of octyl N-[(1S)-2-oxocyclobutyl]carbamate?
octyl N-[(1S)-2-oxocyclobutyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-[(1S)-2-oxocyclobutyl]carbamate is sourced from PubChem (CID 147728041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).