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

C14H24N2O4 — CID 118915519

IUPAC2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(CCOCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c17-13-12(10-15-13)16(14(18)19)7-9-20-8-6-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyBEJMFCJMVINUPT-LBPRGKRZSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds7

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

2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 118915519) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
PubChem CID118915519
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(CCOCCC1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c17-13-12(10-15-13)16(14(18)19)7-9-20-8-6-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyBEJMFCJMVINUPT-LBPRGKRZSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
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 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (CID 118915519) is 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is O=C1NC[C@@H]1N(CCOCCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is BEJMFCJMVINUPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13-12(10-15-13)16(14(18)19)7-9-20-8-6-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 118915519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).