methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate

C10H14N2O4 — CID 64829837

IUPACmethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate
SMILESCNC(CN1C(=O)C2CC2C1=O)C(=O)OC
InChIInChI=1S/C10H14N2O4/c1-11-7(10(15)16-2)4-12-8(13)5-3-6(5)9(12)14/h5-7,11H,3-4H2,1-2H3
InChIKeyMRJRFUATCOEBLP-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.25
Rot. Bonds4

About methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate

methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate (PubChem CID 64829837) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate
PubChem CID64829837
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate
SMILESCNC(CN1C(=O)C2CC2C1=O)C(=O)OC
InChIInChI=1S/C10H14N2O4/c1-11-7(10(15)16-2)4-12-8(13)5-3-6(5)9(12)14/h5-7,11H,3-4H2,1-2H3
InChIKeyMRJRFUATCOEBLP-UHFFFAOYSA-N
XLogP-1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate (CID 64829837) is methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate is CNC(CN1C(=O)C2CC2C1=O)C(=O)OC.
What is the InChIKey of methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate?
The InChIKey is MRJRFUATCOEBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-7(10(15)16-2)4-12-8(13)5-3-6(5)9(12)14/h5-7,11H,3-4H2,1-2H3.
What are the key properties of methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate?
methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate has a molecular weight of 226.23 g/mol, XLogP of -1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate is sourced from PubChem (CID 64829837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).