(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide

C11H11N5O2 — CID 18598721

IUPAC(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide
SMILES[N-]=[N+]=N[C@H](C(=O)NC1CNC1=O)c1ccccc1
InChIInChI=1S/C11H11N5O2/c12-16-15-9(7-4-2-1-3-5-7)11(18)14-8-6-13-10(8)17/h1-5,8-9H,6H2,(H,13,17)(H,14,18)/t8?,9-/m0/s1
InChIKeySTQJSDQOLQPJNI-GKAPJAKFSA-N
MW245.24 g/mol
LogP0.65
Rot. Bonds4

About (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide

(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide (PubChem CID 18598721) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide
PubChem CID18598721
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide
SMILES[N-]=[N+]=N[C@H](C(=O)NC1CNC1=O)c1ccccc1
InChIInChI=1S/C11H11N5O2/c12-16-15-9(7-4-2-1-3-5-7)11(18)14-8-6-13-10(8)17/h1-5,8-9H,6H2,(H,13,17)(H,14,18)/t8?,9-/m0/s1
InChIKeySTQJSDQOLQPJNI-GKAPJAKFSA-N
XLogP0.65
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(6R)-7-[(2-azido-2-phenylacetyl)amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 12834149
(2S)-2-azido-2-[4-[(S)-azido(carboxy)methyl]phenyl]acetic acid
CID 54539704
sodium (2S,5R,6R)-6-[(2-azido-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 15574946
potassium (2S,5R,6R)-6-[[(2R)-2-azido-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 71587048
3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 101021188
4-cyclohexyl-2,3-dioxo-N-[2-oxo-2-[(2-oxoazetidin-3-yl)amino]-1-phenylethyl]piperazine-1-carboxamide
CID 21244878
(2S)-2-amino-N-[(4S)-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]propanamide
CID 163242349
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
CID 123848326
azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide (CID 18598721) is (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide is [N-]=[N+]=N[C@H](C(=O)NC1CNC1=O)c1ccccc1.
What is the InChIKey of (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide?
The InChIKey is STQJSDQOLQPJNI-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-16-15-9(7-4-2-1-3-5-7)11(18)14-8-6-13-10(8)17/h1-5,8-9H,6H2,(H,13,17)(H,14,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide?
(2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide has a molecular weight of 245.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-N-(2-oxoazetidin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 18598721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).