5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

C15H26N2O3 — CID 86282482

IUPAC5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=O)OCCCCCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyOUEJYGKVQBDLTL-ZDUSSCGKSA-N
MW282.38 g/mol
LogP2.35
Rot. Bonds7

About 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 86282482) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID86282482
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=O)OCCCCCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyOUEJYGKVQBDLTL-ZDUSSCGKSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 86282482) is 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is O=C(N[C@H]1CNC1=O)OCCCCCC1CCCCC1.
What is the InChIKey of 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is OUEJYGKVQBDLTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,18)(H,17,19)/t13-/m0/s1.
What are the key properties of 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 86282482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).