[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 8537092) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name	[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID	8537092
Molecular Formula	C22H31N3O5
Molecular Weight	417.51 g/mol
Exact Mass	417.23
IUPAC Name	[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILES	C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(C1=CCCCC1)C1CC1)C2=O
InChI	InChI=1S/C22H31N3O5/c1-15-7-5-6-12-22(15)20(28)24(21(29)23-22)13-19(27)30-14-18(26)25(17-10-11-17)16-8-3-2-4-9-16/h8,15,17H,2-7,9-14H2,1H3,(H,23,29)/t15-,22-/m0/s1
InChIKey	NVIKCZYVLNJMBL-NYHFZMIOSA-N
XLogP	2.48
TPSA	96.02 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 8537092) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(C1=CCCCC1)C1CC1)C2=O.

What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is NVIKCZYVLNJMBL-NYHFZMIOSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-15-7-5-6-12-22(15)20(28)24(21(29)23-22)13-19(27)30-14-18(26)25(17-10-11-17)16-8-3-2-4-9-16/h8,15,17H,2-7,9-14H2,1H3,(H,23,29)/t15-,22-/m0/s1.

What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 417.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 8537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).