(3-amino-4-oxoazetidin-2-yl)methyl benzoate

C11H12N2O3 — CID 14230642

IUPAC(3-amino-4-oxoazetidin-2-yl)methyl benzoate
SMILESNC1C(=O)NC1COC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3/c12-9-8(13-10(9)14)6-16-11(15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)
InChIKeyOWDTZBRBXMBXRL-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.33
Rot. Bonds3

About (3-amino-4-oxoazetidin-2-yl)methyl benzoate

(3-amino-4-oxoazetidin-2-yl)methyl benzoate (PubChem CID 14230642) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (3-amino-4-oxoazetidin-2-yl)methyl benzoate.

Molecular Properties

Compound Name(3-amino-4-oxoazetidin-2-yl)methyl benzoate
PubChem CID14230642
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(3-amino-4-oxoazetidin-2-yl)methyl benzoate
SMILESNC1C(=O)NC1COC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O3/c12-9-8(13-10(9)14)6-16-11(15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)
InChIKeyOWDTZBRBXMBXRL-UHFFFAOYSA-N
XLogP-0.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836
(3-oxocyclobutyl)methyl benzoate
CID 15531476
[(1R,2R,5S,6S)-5-amino-2-bicyclo[4.1.0]heptanyl]methyl benzoate
CID 122213076
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
CID 140504984
[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]methyl benzoate
CID 10681020
[(1R,4S,5R,6R)-4-amino-5,6-bis(benzoyloxymethyl)cyclohex-2-en-1-yl]methyl benzoate
CID 101096496
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[(1S)-2-oxocyclohexyl]methyl benzoate
CID 125470780
piperidin-3-ylmethyl benzoate
CID 53409803
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-oxoazetidin-2-yl)methyl benzoate?
The IUPAC name of (3-amino-4-oxoazetidin-2-yl)methyl benzoate (CID 14230642) is (3-amino-4-oxoazetidin-2-yl)methyl benzoate.
What is the SMILES notation for (3-amino-4-oxoazetidin-2-yl)methyl benzoate?
The canonical SMILES for (3-amino-4-oxoazetidin-2-yl)methyl benzoate is NC1C(=O)NC1COC(=O)c1ccccc1.
What is the InChIKey of (3-amino-4-oxoazetidin-2-yl)methyl benzoate?
The InChIKey is OWDTZBRBXMBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-9-8(13-10(9)14)6-16-11(15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14).
What are the key properties of (3-amino-4-oxoazetidin-2-yl)methyl benzoate?
(3-amino-4-oxoazetidin-2-yl)methyl benzoate has a molecular weight of 220.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-oxoazetidin-2-yl)methyl benzoate is sourced from PubChem (CID 14230642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).