phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate

C10H11ClN2O2 — CID 163827018

IUPACphenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate
SMILESO=C(NC1CN[C@@H]1Cl)Oc1ccccc1
InChIInChI=1S/C10H11ClN2O2/c11-9-8(6-12-9)13-10(14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)/t8?,9-/m0/s1
InChIKeyOAIUHAUIDZAXEC-GKAPJAKFSA-N
MW226.66 g/mol
LogP1.31
Rot. Bonds2

About phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate

phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate (PubChem CID 163827018) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate
PubChem CID163827018
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namephenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate
SMILESO=C(NC1CN[C@@H]1Cl)Oc1ccccc1
InChIInChI=1S/C10H11ClN2O2/c11-9-8(6-12-9)13-10(14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)/t8?,9-/m0/s1
InChIKeyOAIUHAUIDZAXEC-GKAPJAKFSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate?
The IUPAC name of phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate (CID 163827018) is phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate.
What is the SMILES notation for phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate?
The canonical SMILES for phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate is O=C(NC1CN[C@@H]1Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate?
The InChIKey is OAIUHAUIDZAXEC-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-8(6-12-9)13-10(14)15-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate?
phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate has a molecular weight of 226.66 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2R)-2-chloroazetidin-3-yl]carbamate is sourced from PubChem (CID 163827018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).