2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one

C11H19N3O2 — CID 58546685

IUPAC2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(C)C(N)C(=O)N1CC2(CCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11/h7-8,13H,3-6,12H2,1-2H3
InChIKeyCSZKMQRVBDSJPG-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.54
Rot. Bonds2

About 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one

2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 58546685) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
PubChem CID58546685
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(C)C(N)C(=O)N1CC2(CCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11/h7-8,13H,3-6,12H2,1-2H3
InChIKeyCSZKMQRVBDSJPG-UHFFFAOYSA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one (CID 58546685) is 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one is CC(C)C(N)C(=O)N1CC2(CCCN2)C1=O.
What is the InChIKey of 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is CSZKMQRVBDSJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11/h7-8,13H,3-6,12H2,1-2H3.
What are the key properties of 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one?
2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 225.29 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 58546685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).