dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate

C24H40N2O9 — CID 154636574

IUPACdimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate
SMILESCOC(=O)C(O[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC
InChIInChI=1S/C24H40N2O9/c1-22(2,3)34-20(29)25-16-13-15(33-17(18(27)31-7)19(28)32-8)14-24(16)9-11-26(12-10-24)21(30)35-23(4,5)6/h15-17H,9-14H2,1-8H3,(H,25,29)/t15-,16+/m0/s1
InChIKeyMYXDRFUDFGNHBJ-JKSUJKDBSA-N
MW500.59 g/mol
LogP2.79
Rot. Bonds5

About dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate

dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate (PubChem CID 154636574) has the molecular formula C24H40N2O9 and a molecular weight of 500.59 g/mol. Its IUPAC name is dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate
PubChem CID154636574
Molecular FormulaC24H40N2O9
Molecular Weight500.59 g/mol
Exact Mass500.27
IUPAC Namedimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate
SMILESCOC(=O)C(O[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC
InChIInChI=1S/C24H40N2O9/c1-22(2,3)34-20(29)25-16-13-15(33-17(18(27)31-7)19(28)32-8)14-24(16)9-11-26(12-10-24)21(30)35-23(4,5)6/h15-17H,9-14H2,1-8H3,(H,25,29)/t15-,16+/m0/s1
InChIKeyMYXDRFUDFGNHBJ-JKSUJKDBSA-N
XLogP2.79
TPSA129.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R,4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-hydroxy-8-azaspiro[4.5]decane-8-carboxylate;tert-butyl (2S,4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylpropanoyloxy)-8-azaspiro[4.5]decane-8-carboxylate
CID 159454197
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146563060
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121207545

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate?
The IUPAC name of dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate (CID 154636574) is dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate.
What is the SMILES notation for dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate?
The canonical SMILES for dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate is COC(=O)C(O[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC.
What is the InChIKey of dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate?
The InChIKey is MYXDRFUDFGNHBJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H40N2O9/c1-22(2,3)34-20(29)25-16-13-15(33-17(18(27)31-7)19(28)32-8)14-24(16)9-11-26(12-10-24)21(30)35-23(4,5)6/h15-17H,9-14H2,1-8H3,(H,25,29)/t15-,16+/m0/s1.
What are the key properties of dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate?
dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate has a molecular weight of 500.59 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(2R,4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-2-yl]oxy]propanedioate is sourced from PubChem (CID 154636574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).