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

C8H14ClN3O3 — CID 67591803

IUPAC2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H13N3O3.ClH/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5;/h5,8H,1-4,9H2,(H,10,12);1H
InChIKeyQWUWMMCEIPZDFX-UHFFFAOYSA-N
MW235.67 g/mol
LogP-1.56
Rot. Bonds3

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

2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride (PubChem CID 67591803) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride
PubChem CID67591803
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H13N3O3.ClH/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5;/h5,8H,1-4,9H2,(H,10,12);1H
InChIKeyQWUWMMCEIPZDFX-UHFFFAOYSA-N
XLogP-1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride (CID 67591803) is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride is Cl.NCC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is QWUWMMCEIPZDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.ClH/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5;/h5,8H,1-4,9H2,(H,10,12);1H.
What are the key properties of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride?
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 67591803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).