(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide

C16H25N3O3 — CID 176958833

IUPAC(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide
SMILESCC(=O)/C=C(\N)C(=O)NC(C(=O)N1CCC2(CC2)C1)C(C)C
InChIInChI=1S/C16H25N3O3/c1-10(2)13(18-14(21)12(17)8-11(3)20)15(22)19-7-6-16(9-19)4-5-16/h8,10,13H,4-7,9,17H2,1-3H3,(H,18,21)/b12-8-
InChIKeyFBEDTDQPOCXURW-WQLSENKSSA-N
MW307.39 g/mol
LogP0.57
Rot. Bonds5

About (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide

(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide (PubChem CID 176958833) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide
PubChem CID176958833
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide
SMILESCC(=O)/C=C(\N)C(=O)NC(C(=O)N1CCC2(CC2)C1)C(C)C
InChIInChI=1S/C16H25N3O3/c1-10(2)13(18-14(21)12(17)8-11(3)20)15(22)19-7-6-16(9-19)4-5-16/h8,10,13H,4-7,9,17H2,1-3H3,(H,18,21)/b12-8-
InChIKeyFBEDTDQPOCXURW-WQLSENKSSA-N
XLogP0.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide?
The IUPAC name of (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide (CID 176958833) is (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide.
What is the SMILES notation for (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide?
The canonical SMILES for (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide is CC(=O)/C=C(\N)C(=O)NC(C(=O)N1CCC2(CC2)C1)C(C)C.
What is the InChIKey of (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide?
The InChIKey is FBEDTDQPOCXURW-WQLSENKSSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)13(18-14(21)12(17)8-11(3)20)15(22)19-7-6-16(9-19)4-5-16/h8,10,13H,4-7,9,17H2,1-3H3,(H,18,21)/b12-8-.
What are the key properties of (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide?
(Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-N-[1-(5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl]-4-oxopent-2-enamide is sourced from PubChem (CID 176958833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).