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

C8H13ClN2O4 — CID 19602460

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H12N2O4.ClH/c9-2-8(12)13-4-5-3-10-6(11)1-7(10)14-5;/h5,7H,1-4,9H2;1H
InChIKeyWBUMFAAPMUOACL-UHFFFAOYSA-N
MW236.65 g/mol
LogP-1.13
Rot. Bonds3

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

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride (PubChem CID 19602460) has the molecular formula C8H13ClN2O4 and a molecular weight of 236.65 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride
PubChem CID19602460
Molecular FormulaC8H13ClN2O4
Molecular Weight236.65 g/mol
Exact Mass236.06
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride
SMILESCl.NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H12N2O4.ClH/c9-2-8(12)13-4-5-3-10-6(11)1-7(10)14-5;/h5,7H,1-4,9H2;1H
InChIKeyWBUMFAAPMUOACL-UHFFFAOYSA-N
XLogP-1.13
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride (CID 19602460) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride is Cl.NCC(=O)OCC1CN2C(=O)CC2O1.
What is the InChIKey of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride?
The InChIKey is WBUMFAAPMUOACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4.ClH/c9-2-8(12)13-4-5-3-10-6(11)1-7(10)14-5;/h5,7H,1-4,9H2;1H.
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride has a molecular weight of 236.65 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 19602460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).