(4-ethylphenyl) 3-aminoazetidine-1-carboxylate

C12H16N2O2 — CID 83822345

IUPAC(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
SMILESCCc1ccc(OC(=O)N2CC(N)C2)cc1
InChIInChI=1S/C12H16N2O2/c1-2-9-3-5-11(6-4-9)16-12(15)14-7-10(13)8-14/h3-6,10H,2,7-8,13H2,1H3
InChIKeyXUKJQFWQTOFSJR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds2

About (4-ethylphenyl) 3-aminoazetidine-1-carboxylate

(4-ethylphenyl) 3-aminoazetidine-1-carboxylate (PubChem CID 83822345) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-ethylphenyl) 3-aminoazetidine-1-carboxylate.

Molecular Properties

Compound Name(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
PubChem CID83822345
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
SMILESCCc1ccc(OC(=O)N2CC(N)C2)cc1
InChIInChI=1S/C12H16N2O2/c1-2-9-3-5-11(6-4-9)16-12(15)14-7-10(13)8-14/h3-6,10H,2,7-8,13H2,1H3
InChIKeyXUKJQFWQTOFSJR-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452
[4-[4-(hydroxymethyl)phenoxy]phenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325528
(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
CID 83822781
(4-ethylphenyl) carbamate
CID 1269945
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
(4-ethylphenyl) 4-(3-chloro-4-cyanophenoxy)piperidine-1-carboxylate
CID 162438921

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 3-aminoazetidine-1-carboxylate?
The IUPAC name of (4-ethylphenyl) 3-aminoazetidine-1-carboxylate (CID 83822345) is (4-ethylphenyl) 3-aminoazetidine-1-carboxylate.
What is the SMILES notation for (4-ethylphenyl) 3-aminoazetidine-1-carboxylate?
The canonical SMILES for (4-ethylphenyl) 3-aminoazetidine-1-carboxylate is CCc1ccc(OC(=O)N2CC(N)C2)cc1.
What is the InChIKey of (4-ethylphenyl) 3-aminoazetidine-1-carboxylate?
The InChIKey is XUKJQFWQTOFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-9-3-5-11(6-4-9)16-12(15)14-7-10(13)8-14/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of (4-ethylphenyl) 3-aminoazetidine-1-carboxylate?
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 3-aminoazetidine-1-carboxylate is sourced from PubChem (CID 83822345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).