tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate

C15H22N2O3 — CID 167742005

IUPACtert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate
SMILESCC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)16-11-5-7-12(8-6-11)17-9-15(4,19)10-17/h5-8,19H,9-10H2,1-4H3,(H,16,18)
InChIKeyCQMOPMIRRHHEIH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate

tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate (PubChem CID 167742005) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate
PubChem CID167742005
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate
SMILESCC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)16-11-5-7-12(8-6-11)17-9-15(4,19)10-17/h5-8,19H,9-10H2,1-4H3,(H,16,18)
InChIKeyCQMOPMIRRHHEIH-UHFFFAOYSA-N
XLogP2.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
tert-butyl N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamate
CID 112984524
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]carbamate;N,N-dimethyl-1-[4-(methylamino)phenyl]piperidin-4-amine
CID 161481622
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]carbamate
CID 112984580
tert-butyl N-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate
CID 9255673
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate (CID 167742005) is tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate is CC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)C1.
What is the InChIKey of tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate?
The InChIKey is CQMOPMIRRHHEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)16-11-5-7-12(8-6-11)17-9-15(4,19)10-17/h5-8,19H,9-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate?
tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate is sourced from PubChem (CID 167742005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).