2-phenylpropan-2-yl azetidine-1-carboxylate

C13H17NO2 — CID 170530047

IUPAC2-phenylpropan-2-yl azetidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,11-7-4-3-5-8-11)16-12(15)14-9-6-10-14/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyKZGFELOQZCQVDW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.76
Rot. Bonds2

About 2-phenylpropan-2-yl azetidine-1-carboxylate

2-phenylpropan-2-yl azetidine-1-carboxylate (PubChem CID 170530047) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-phenylpropan-2-yl azetidine-1-carboxylate.

Molecular Properties

Compound Name2-phenylpropan-2-yl azetidine-1-carboxylate
PubChem CID170530047
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-phenylpropan-2-yl azetidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,11-7-4-3-5-8-11)16-12(15)14-9-6-10-14/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyKZGFELOQZCQVDW-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)propan-2-yl 4-carbonochloridoyl-1,4-diazepane-1-carboxylate
CID 177209466
2-(4-phenylphenyl)propan-2-yl 4-carbonochloridoylpiperazine-1-carboxylate
CID 177209459
tert-butyl pyrrolidine-1-carboxylate;N-phenylacetamide
CID 162081451
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid
CID 126560664
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl 3-(2-phenylpropan-2-yl)imidazolidine-1-carboxylate
CID 11822401
2-(azetidine-1-carbonyl)-3-methyl-2-phenylbutanoic acid
CID 166691288
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl azetidine-1-carboxylate?
The IUPAC name of 2-phenylpropan-2-yl azetidine-1-carboxylate (CID 170530047) is 2-phenylpropan-2-yl azetidine-1-carboxylate.
What is the SMILES notation for 2-phenylpropan-2-yl azetidine-1-carboxylate?
The canonical SMILES for 2-phenylpropan-2-yl azetidine-1-carboxylate is CC(C)(OC(=O)N1CCC1)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl azetidine-1-carboxylate?
The InChIKey is KZGFELOQZCQVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,11-7-4-3-5-8-11)16-12(15)14-9-6-10-14/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of 2-phenylpropan-2-yl azetidine-1-carboxylate?
2-phenylpropan-2-yl azetidine-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl azetidine-1-carboxylate is sourced from PubChem (CID 170530047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).