[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

About [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 8880808) has the molecular formula C18H28N4O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name	[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID	8880808
Molecular Formula	C18H28N4O6
Molecular Weight	396.44 g/mol
Exact Mass	396.20
IUPAC Name	[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILES	CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
InChI	InChI=1S/C18H28N4O6/c1-10(2)19-16(26)20-14(24)12(4)28-13(23)9-22-15(25)18(21-17(22)27)8-6-5-7-11(18)3/h10-12H,5-9H2,1-4H3,(H,21,27)(H2,19,20,24,26)/t11-,12+,18+/m1/s1
InChIKey	AVCKGZCBCBIMCG-SOZUMNATSA-N
XLogP	0.65
TPSA	133.91 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.44
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 8880808) is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O.

What is the InChIKey of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is AVCKGZCBCBIMCG-SOZUMNATSA-N. The full InChI is InChI=1S/C18H28N4O6/c1-10(2)19-16(26)20-14(24)12(4)28-13(23)9-22-15(25)18(21-17(22)27)8-6-5-7-11(18)3/h10-12H,5-9H2,1-4H3,(H,21,27)(H2,19,20,24,26)/t11-,12+,18+/m1/s1.

What are the key properties of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 396.44 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 8880808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).