benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate

C11H13N3O3 — CID 13132707

IUPACbenzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
SMILESNN1C[C@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C11H13N3O3/c12-14-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)/t9-/m0/s1
InChIKeyOGORCUCEEWCRBN-VIFPVBQESA-N
MW235.24 g/mol
LogP-0.00
Rot. Bonds3

About benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate

benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate (PubChem CID 13132707) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
PubChem CID13132707
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namebenzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
SMILESNN1C[C@H](NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C11H13N3O3/c12-14-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)/t9-/m0/s1
InChIKeyOGORCUCEEWCRBN-VIFPVBQESA-N
XLogP-0.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
sodium;hydride;2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 173435022
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate
CID 86739707
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
CID 13366890
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
1-[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl]azetidine-2-carboxylic acid
CID 70453484
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl] (2R)-pyrrolidine-2-carboxylate
CID 88676033
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate (CID 13132707) is benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate is NN1C[C@H](NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate?
The InChIKey is OGORCUCEEWCRBN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O3/c12-14-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)/t9-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate?
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate has a molecular weight of 235.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 13132707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).