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

C10H15N3O5 — CID 70345189

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate
SMILESNCC(=O)NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O5/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)
InChIKeyVKMBFEXHJIAOSD-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.44
Rot. Bonds5

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

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate (PubChem CID 70345189) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate
PubChem CID70345189
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate
SMILESNCC(=O)NCC(=O)OCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O5/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)
InChIKeyVKMBFEXHJIAOSD-UHFFFAOYSA-N
XLogP-2.44
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.44
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?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate (CID 70345189) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate is 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?
The InChIKey is VKMBFEXHJIAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/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).
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate has a molecular weight of 257.25 g/mol, XLogP of -2.44, 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 is sourced from PubChem (CID 70345189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).