methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate

C19H28N2O4 — CID 99701900

IUPACmethyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCOC(=O)C1=NOC2(CCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)C1
InChIInChI=1S/C19H28N2O4/c1-24-18(23)16-12-19(25-20-16)7-9-21(10-8-19)17(22)15-11-14(15)13-5-3-2-4-6-13/h13-15H,2-12H2,1H3/t14-,15-/m0/s1
InChIKeyKFHPKOKAVQTQND-GJZGRUSLSA-N
MW348.44 g/mol
LogP2.51
Rot. Bonds3

About methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate

methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 99701900) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID99701900
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCOC(=O)C1=NOC2(CCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)C1
InChIInChI=1S/C19H28N2O4/c1-24-18(23)16-12-19(25-20-16)7-9-21(10-8-19)17(22)15-11-14(15)13-5-3-2-4-6-13/h13-15H,2-12H2,1H3/t14-,15-/m0/s1
InChIKeyKFHPKOKAVQTQND-GJZGRUSLSA-N
XLogP2.51
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate with MolForge

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Related Compounds

methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
methyl 8-[(2R)-2-butoxypropanoyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
CID 97352188
(2-cyclohexylcyclopropyl)-piperazin-1-ylmethanone
CID 119400440
N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685924
8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477855
methyl 8-[3-(2-fluorophenyl)butanoyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
CID 75455479
N-[[1-[(1R,2R)-2-cyclobutylcyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 99775405
N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131686652
methyl 7-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylate
CID 146097214
[(1S,2S)-2-cyclohexylcyclopropyl]-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99577107
methyl 9-(3-formyl-4-hydroxybenzoyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylate
CID 167875070
8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 95043253

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate (CID 99701900) is methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate is COC(=O)C1=NOC2(CCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)CC2)C1.
What is the InChIKey of methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is KFHPKOKAVQTQND-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-18(23)16-12-19(25-20-16)7-9-21(10-8-19)17(22)15-11-14(15)13-5-3-2-4-6-13/h13-15H,2-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 99701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).