2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide

C8H11N5O3 — CID 19602504

IUPAC2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H11N5O3/c9-12-11-3-6(14)10-2-5-4-13-7(15)1-8(13)16-5/h5,8H,1-4H2,(H,10,14)
InChIKeyCIAJRQFXVUKVIU-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.63
Rot. Bonds4

About 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide

2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (PubChem CID 19602504) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
PubChem CID19602504
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILES[N-]=[N+]=NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H11N5O3/c9-12-11-3-6(14)10-2-5-4-13-7(15)1-8(13)16-5/h5,8H,1-4H2,(H,10,14)
InChIKeyCIAJRQFXVUKVIU-UHFFFAOYSA-N
XLogP-0.63
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 9815438
(3S,5S)-3-(N-acetylamino)methyl-4-oxa-1-azabicyclo [3,2,0] heptan-7-one
CID 15871729
(3RS,5RS)-3-Azidomethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602468
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
CID 19602470
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602471
N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
CID 19602481
6-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]hexanamide
CID 19602495
(3RS, 5SR)-3-aminomethyl-4-oxa-1-azabicyclo [3,2,0] heptan-7-one
CID 19602501
2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602502
3-(Aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride
CID 19602517
(5R,6S)-6-amino-4-oxa-1-azabicyclo[3,2,0]heptan-7-one
CID 21309376
3-(Methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 53709279

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The IUPAC name of 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (CID 19602504) is 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The canonical SMILES for 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is [N-]=[N+]=NCC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The InChIKey is CIAJRQFXVUKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-12-11-3-6(14)10-2-5-4-13-7(15)1-8(13)16-5/h5,8H,1-4H2,(H,10,14).
What are the key properties of 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is sourced from PubChem (CID 19602504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).