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

C10H14N2O4 — CID 64835701

IUPAC3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(CN1C(=O)C2CC2C1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(11-2,9(15)16)4-12-7(13)5-3-6(5)8(12)14/h5-6,11H,3-4H2,1-2H3,(H,15,16)
InChIKeySKFQANBZTDDLNS-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.95
Rot. Bonds4

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

3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid (PubChem CID 64835701) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid
PubChem CID64835701
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid
SMILESCNC(C)(CN1C(=O)C2CC2C1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(11-2,9(15)16)4-12-7(13)5-3-6(5)8(12)14/h5-6,11H,3-4H2,1-2H3,(H,15,16)
InChIKeySKFQANBZTDDLNS-UHFFFAOYSA-N
XLogP-0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid (CID 64835701) is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid is CNC(C)(CN1C(=O)C2CC2C1=O)C(=O)O.
What is the InChIKey of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid?
The InChIKey is SKFQANBZTDDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(11-2,9(15)16)4-12-7(13)5-3-6(5)8(12)14/h5-6,11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid?
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 64835701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).