3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide

C11H17N3O3 — CID 64837421

IUPAC3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-2-3-13-8(9(12)15)5-14-10(16)6-4-7(6)11(14)17/h6-8,13H,2-5H2,1H3,(H2,12,15)
InChIKeyPPGXZDKVTQTCBC-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.16
Rot. Bonds6

About 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide

3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide (PubChem CID 64837421) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide
PubChem CID64837421
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-2-3-13-8(9(12)15)5-14-10(16)6-4-7(6)11(14)17/h6-8,13H,2-5H2,1H3,(H2,12,15)
InChIKeyPPGXZDKVTQTCBC-UHFFFAOYSA-N
XLogP-1.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.16
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-(propylamino)propanamide?
The IUPAC name of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide (CID 64837421) is 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide?
The canonical SMILES for 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide is CCCNC(CN1C(=O)C2CC2C1=O)C(N)=O.
What is the InChIKey of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide?
The InChIKey is PPGXZDKVTQTCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-13-8(9(12)15)5-14-10(16)6-4-7(6)11(14)17/h6-8,13H,2-5H2,1H3,(H2,12,15).
What are the key properties of 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide?
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propylamino)propanamide has a molecular weight of 239.27 g/mol, XLogP of -1.16, 6 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-(propylamino)propanamide is sourced from PubChem (CID 64837421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).