ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C15H24N4O3 — CID 95189454

IUPACethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN1CC[C@@]2(CCCNC2)C1
InChIInChI=1S/C15H24N4O3/c1-2-22-13(20)12-11(17-14(21)18-12)8-19-7-5-15(10-19)4-3-6-16-9-15/h16H,2-10H2,1H3,(H2,17,18,21)/t15-/m1/s1
InChIKeyBEYVSFQWSDDPRV-OAHLLOKOSA-N
MW308.38 g/mol
LogP0.46
Rot. Bonds4

About ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 95189454) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID95189454
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nameethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN1CC[C@@]2(CCCNC2)C1
InChIInChI=1S/C15H24N4O3/c1-2-22-13(20)12-11(17-14(21)18-12)8-19-7-5-15(10-19)4-3-6-16-9-15/h16H,2-10H2,1H3,(H2,17,18,21)/t15-/m1/s1
InChIKeyBEYVSFQWSDDPRV-OAHLLOKOSA-N
XLogP0.46
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 95189454) is ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1CN1CC[C@@]2(CCCNC2)C1.
What is the InChIKey of ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is BEYVSFQWSDDPRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-22-13(20)12-11(17-14(21)18-12)8-19-7-5-15(10-19)4-3-6-16-9-15/h16H,2-10H2,1H3,(H2,17,18,21)/t15-/m1/s1.
What are the key properties of ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 95189454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).