octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

C12H22N2O3 — CID 118915637

IUPACoctyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESCCCCCCCCN(C(=O)O)[C@H]1CNC1=O
InChIInChI=1S/C12H22N2O3/c1-2-3-4-5-6-7-8-14(12(16)17)10-9-13-11(10)15/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyCSVPPYJORKXSQT-JTQLQIEISA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds8

About octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 118915637) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Nameoctyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
PubChem CID118915637
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameoctyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESCCCCCCCCN(C(=O)O)[C@H]1CNC1=O
InChIInChI=1S/C12H22N2O3/c1-2-3-4-5-6-7-8-14(12(16)17)10-9-13-11(10)15/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyCSVPPYJORKXSQT-JTQLQIEISA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 90425760
hexyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424537
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424931
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
hexyl(sulfanyl)carbamic acid
CID 175548234
2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915519
octyl(phenyl)carbamic acid
CID 54301990
hexyl(octadecyl)carbamic acid
CID 87702094
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
hexadecyl(methyl)carbamic acid
CID 15173799
CID 87839414
CID 87839414

Frequently Asked Questions

What is the IUPAC name of octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (CID 118915637) is octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is CCCCCCCCN(C(=O)O)[C@H]1CNC1=O.
What is the InChIKey of octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is CSVPPYJORKXSQT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-4-5-6-7-8-14(12(16)17)10-9-13-11(10)15/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1.
What are the key properties of octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 118915637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).