ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate

About ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 51956757) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name	ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID	51956757
Molecular Formula	C20H31N3O5
Molecular Weight	393.48 g/mol
Exact Mass	393.23
IUPAC Name	ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate
SMILES	CCOC(=O)C1(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CCCCC1
InChI	InChI=1S/C20H31N3O5/c1-3-28-17(26)19(10-6-4-7-11-19)21-15(24)13-23-16(25)20(22-18(23)27)12-8-5-9-14(20)2/h14H,3-13H2,1-2H3,(H,21,24)(H,22,27)/t14-,20-/m1/s1
InChIKey	HSUUHTBPQSXGAG-JLTOFOAXSA-N
XLogP	1.87
TPSA	104.81 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	1.87
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 ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate?

The IUPAC name of ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate (CID 51956757) is ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate.

What is the SMILES notation for ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate?

The canonical SMILES for ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CCCCC1.

What is the InChIKey of ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate?

The InChIKey is HSUUHTBPQSXGAG-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-3-28-17(26)19(10-6-4-7-11-19)21-15(24)13-23-16(25)20(22-18(23)27)12-8-5-9-14(20)2/h14H,3-13H2,1-2H3,(H,21,24)(H,22,27)/t14-,20-/m1/s1.

What are the key properties of ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate?

ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 393.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 51956757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).