(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one

C13H25N3O — CID 98083841

IUPAC(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)11(15)12(17)16-6-5-13(8-16)4-3-10(14)7-13/h9-11H,3-8,14-15H2,1-2H3/t10-,11+,13-/m1/s1
InChIKeyNBOXBFFCKZYLAM-NTZNESFSSA-N
MW239.36 g/mol
LogP0.70
Rot. Bonds2

About (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one (PubChem CID 98083841) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
PubChem CID98083841
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1
InChIInChI=1S/C13H25N3O/c1-9(2)11(15)12(17)16-6-5-13(8-16)4-3-10(14)7-13/h9-11H,3-8,14-15H2,1-2H3/t10-,11+,13-/m1/s1
InChIKeyNBOXBFFCKZYLAM-NTZNESFSSA-N
XLogP0.70
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084178
(2S)-2-amino-1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373055
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2S)-2-amino-1-[(5R,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 98084168
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
2-amino-1-[8-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 71633303
2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 97168946
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
(2S)-2-amino-1-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373047
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
CID 97168789
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one (CID 98083841) is (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](N)C2)C1.
What is the InChIKey of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one?
The InChIKey is NBOXBFFCKZYLAM-NTZNESFSSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)11(15)12(17)16-6-5-13(8-16)4-3-10(14)7-13/h9-11H,3-8,14-15H2,1-2H3/t10-,11+,13-/m1/s1.
What are the key properties of (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one is sourced from PubChem (CID 98083841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).