(2-fluorophenyl) 3-aminoazetidine-1-carboxylate

C10H11FN2O2 — CID 83820757

IUPAC(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
SMILESNC1CN(C(=O)Oc2ccccc2F)C1
InChIInChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)15-10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2
InChIKeyMUSVBEQSZWTFQU-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.97
Rot. Bonds1

About (2-fluorophenyl) 3-aminoazetidine-1-carboxylate

(2-fluorophenyl) 3-aminoazetidine-1-carboxylate (PubChem CID 83820757) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (2-fluorophenyl) 3-aminoazetidine-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
PubChem CID83820757
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
SMILESNC1CN(C(=O)Oc2ccccc2F)C1
InChIInChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)15-10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2
InChIKeyMUSVBEQSZWTFQU-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
(E)-1-(3-aminoazetidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 121200505
(3-methoxyphenyl) 3-aminoazetidine-1-carboxylate
CID 83822781
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 3-aminoazetidine-1-carboxylate?
The IUPAC name of (2-fluorophenyl) 3-aminoazetidine-1-carboxylate (CID 83820757) is (2-fluorophenyl) 3-aminoazetidine-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl) 3-aminoazetidine-1-carboxylate?
The canonical SMILES for (2-fluorophenyl) 3-aminoazetidine-1-carboxylate is NC1CN(C(=O)Oc2ccccc2F)C1.
What is the InChIKey of (2-fluorophenyl) 3-aminoazetidine-1-carboxylate?
The InChIKey is MUSVBEQSZWTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)15-10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2.
What are the key properties of (2-fluorophenyl) 3-aminoazetidine-1-carboxylate?
(2-fluorophenyl) 3-aminoazetidine-1-carboxylate has a molecular weight of 210.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 3-aminoazetidine-1-carboxylate is sourced from PubChem (CID 83820757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).