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

C10H12N2O5 — CID 64837173

IUPAC2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid
SMILESCC(=O)NC(CN1C(=O)C2CC2C1=O)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-4(13)11-7(10(16)17)3-12-8(14)5-2-6(5)9(12)15/h5-7H,2-3H2,1H3,(H,11,13)(H,16,17)
InChIKeyUOIRSQIDPLAJRJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP-1.42
Rot. Bonds4

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

2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid (PubChem CID 64837173) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid
PubChem CID64837173
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid
SMILESCC(=O)NC(CN1C(=O)C2CC2C1=O)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-4(13)11-7(10(16)17)3-12-8(14)5-2-6(5)9(12)15/h5-7H,2-3H2,1H3,(H,11,13)(H,16,17)
InChIKeyUOIRSQIDPLAJRJ-UHFFFAOYSA-N
XLogP-1.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-1.42
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 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid (CID 64837173) is 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid is CC(=O)NC(CN1C(=O)C2CC2C1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid?
The InChIKey is UOIRSQIDPLAJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-4(13)11-7(10(16)17)3-12-8(14)5-2-6(5)9(12)15/h5-7H,2-3H2,1H3,(H,11,13)(H,16,17).
What are the key properties of 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid?
2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoic acid is sourced from PubChem (CID 64837173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).