(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate

C11H14N2O3 — CID 83822781

IUPAC(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
SMILESCOc1cccc(OC(=O)N2CC(N)C2)c1
InChIInChI=1S/C11H14N2O3/c1-15-9-3-2-4-10(5-9)16-11(14)13-6-8(12)7-13/h2-5,8H,6-7,12H2,1H3
InChIKeyUFMLBGWZDUARKD-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.84
Rot. Bonds2

About (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate

(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate (PubChem CID 83822781) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
PubChem CID83822781
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
SMILESCOc1cccc(OC(=O)N2CC(N)C2)c1
InChIInChI=1S/C11H14N2O3/c1-15-9-3-2-4-10(5-9)16-11(14)13-6-8(12)7-13/h2-5,8H,6-7,12H2,1H3
InChIKeyUFMLBGWZDUARKD-UHFFFAOYSA-N
XLogP0.84
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 126772666
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate?
The IUPAC name of (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate (CID 83822781) is (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate.
What is the SMILES notation for (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate?
The canonical SMILES for (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate is COc1cccc(OC(=O)N2CC(N)C2)c1.
What is the InChIKey of (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate?
The InChIKey is UFMLBGWZDUARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-3-2-4-10(5-9)16-11(14)13-6-8(12)7-13/h2-5,8H,6-7,12H2,1H3.
What are the key properties of (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate?
(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 3-aminoazetidine-1-carboxylate is sourced from PubChem (CID 83822781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).