[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7469554) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name	[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID	7469554
Molecular Formula	C22H27N3O5
Molecular Weight	413.47 g/mol
Exact Mass	413.20
IUPAC Name	[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,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)Nc1ccc3c(c1)CCC3)C2=O
InChI	InChI=1S/C22H27N3O5/c1-14-5-2-3-10-22(14)20(28)25(21(29)24-22)12-19(27)30-13-18(26)23-17-9-8-15-6-4-7-16(15)11-17/h8-9,11,14H,2-7,10,12-13H2,1H3,(H,23,26)(H,24,29)/t14-,22+/m0/s1
InChIKey	VOBHNZUGFXOSPE-RCDICMHDSA-N
XLogP	2.16
TPSA	104.81 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.47
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
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-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7469554) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,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)Nc1ccc3c(c1)CCC3)C2=O.

What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is VOBHNZUGFXOSPE-RCDICMHDSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-14-5-2-3-10-22(14)20(28)25(21(29)24-22)12-19(27)30-13-18(26)23-17-9-8-15-6-4-7-16(15)11-17/h8-9,11,14H,2-7,10,12-13H2,1H3,(H,23,26)(H,24,29)/t14-,22+/m0/s1.

What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 413.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7469554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).