2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide

C11H17N3O3 — CID 64829835

IUPAC2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide
SMILESCC(N)(CCCN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-11(13,10(12)17)3-2-4-14-8(15)6-5-7(6)9(14)16/h6-7H,2-5,13H2,1H3,(H2,12,17)
InChIKeyHWPCWSKPIZGKGB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.03
Rot. Bonds5

About 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide

2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide (PubChem CID 64829835) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide
PubChem CID64829835
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide
SMILESCC(N)(CCCN1C(=O)C2CC2C1=O)C(N)=O
InChIInChI=1S/C11H17N3O3/c1-11(13,10(12)17)3-2-4-14-8(15)6-5-7(6)9(14)16/h6-7H,2-5,13H2,1H3,(H2,12,17)
InChIKeyHWPCWSKPIZGKGB-UHFFFAOYSA-N
XLogP-1.03
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(methylamino)hexanamide
CID 64836259
2-(5-amino-4,4-dimethylpentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512557
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpentanamide
CID 65324919
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
7-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)heptanal
CID 23289990
2,5-diamino-2-methylpentanamide
CID 130907221
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-methylpentanamide
CID 82752654
2,2-dimethyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114513551
3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
CID 114513834
2-(5-aminopentyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391513
3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834936
3-hex-5-ynyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106209099

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide (CID 64829835) is 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide is CC(N)(CCCN1C(=O)C2CC2C1=O)C(N)=O.
What is the InChIKey of 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide?
The InChIKey is HWPCWSKPIZGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(13,10(12)17)3-2-4-14-8(15)6-5-7(6)9(14)16/h6-7H,2-5,13H2,1H3,(H2,12,17).
What are the key properties of 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide?
2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide has a molecular weight of 239.27 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanamide is sourced from PubChem (CID 64829835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).