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

C10H16ClN3O5 — CID 70345188

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
SMILESCl.NCC(=O)NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O5.ClH/c11-2-7(14)12-3-10(16)17-5-6-4-13-8(15)1-9(13)18-6;/h6,9H,1-5,11H2,(H,12,14);1H
InChIKeyMUGHXFHVRZPBDF-UHFFFAOYSA-N
MW293.71 g/mol
LogP-2.02
Rot. Bonds5

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

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride (PubChem CID 70345188) has the molecular formula C10H16ClN3O5 and a molecular weight of 293.71 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
PubChem CID70345188
Molecular FormulaC10H16ClN3O5
Molecular Weight293.71 g/mol
Exact Mass293.08
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
SMILESCl.NCC(=O)NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O5.ClH/c11-2-7(14)12-3-10(16)17-5-6-4-13-8(15)1-9(13)18-6;/h6,9H,1-5,11H2,(H,12,14);1H
InChIKeyMUGHXFHVRZPBDF-UHFFFAOYSA-N
XLogP-2.02
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride (CID 70345188) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride is Cl.NCC(=O)NCC(=O)OCC1CN2C(=O)CC2O1.
What is the InChIKey of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The InChIKey is MUGHXFHVRZPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5.ClH/c11-2-7(14)12-3-10(16)17-5-6-4-13-8(15)1-9(13)18-6;/h6,9H,1-5,11H2,(H,12,14);1H.
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride has a molecular weight of 293.71 g/mol, XLogP of -2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-[(2-aminoacetyl)amino]acetate;hydrochloride is sourced from PubChem (CID 70345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).