(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid

C24H28N2O6 — CID 135296847

IUPAC(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid
SMILESCOCCCOc1cc2c(cc1COC)-c1cc(=O)c(C(=O)O)cn1N1[C@@H]2CCC12CC2
InChIInChI=1S/C24H28N2O6/c1-30-8-3-9-32-22-11-17-16(10-15(22)14-31-2)20-12-21(27)18(23(28)29)13-25(20)26-19(17)4-5-24(26)6-7-24/h10-13,19H,3-9,14H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyMEPSARJVZNJCJL-LJQANCHMSA-N
MW440.50 g/mol
LogP3.09
Rot. Bonds8

About (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid

(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid (PubChem CID 135296847) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid.

Molecular Properties

Compound Name(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid
PubChem CID135296847
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid
SMILESCOCCCOc1cc2c(cc1COC)-c1cc(=O)c(C(=O)O)cn1N1[C@@H]2CCC12CC2
InChIInChI=1S/C24H28N2O6/c1-30-8-3-9-32-22-11-17-16(10-15(22)14-31-2)20-12-21(27)18(23(28)29)13-25(20)26-19(17)4-5-24(26)6-7-24/h10-13,19H,3-9,14H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyMEPSARJVZNJCJL-LJQANCHMSA-N
XLogP3.09
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid with MolForge

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Related Compounds

9,10-bis(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296712
(6R)-10-chloro-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,3'-oxetane]-16-carboxylic acid
CID 135296974
9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-10-propan-2-yloxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 146175346
(14S)-10-methoxy-11-(3-methoxypropoxy)-19,19-dimethyl-5-oxo-1,2-diazatetracyclo[12.5.0.02,7.08,13]nonadeca-3,6,8,10,12-pentaene-4-carboxylic acid
CID 146175313
(6S)-9-(3-methoxypropoxy)-3,3-dimethyl-10-[(2-methylpropan-2-yl)oxy]-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296813
(6R)-10-(methoxymethyl)-3,3-dimethyl-15-oxo-9-(trifluoromethylsulfonyloxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 135316202
9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135315961
(6R)-2'-[2-[3-[(6R)-16-carboxy-10-chloro-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,3'-oxetane]-9-yl]oxypropoxy]ethyl]-10-chloro-9-(3-methoxypropoxy)-2'-methyl-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,5'-1,3-dioxane]-16-carboxylic acid
CID 135297082
(5R)-9-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-14-oxo-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylic acid;9-chloro-8-(3-methoxypropoxy)-3,3-dimethyl-14-oxo-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylic acid
CID 161221735
(6R)-9-(3-ethoxypropoxy)-10-methoxy-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 135296958
methyl (6R)-9-(1,1,2,2,3,3-hexadeuterio-3-methoxypropoxy)-10-(methoxymethyl)-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylate
CID 140905854
(2S)-10-methoxy-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 130356977

Frequently Asked Questions

What is the IUPAC name of (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid?
The IUPAC name of (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid (CID 135296847) is (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid.
What is the SMILES notation for (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid?
The canonical SMILES for (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid is COCCCOc1cc2c(cc1COC)-c1cc(=O)c(C(=O)O)cn1N1[C@@H]2CCC12CC2.
What is the InChIKey of (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid?
The InChIKey is MEPSARJVZNJCJL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-30-8-3-9-32-22-11-17-16(10-15(22)14-31-2)20-12-21(27)18(23(28)29)13-25(20)26-19(17)4-5-24(26)6-7-24/h10-13,19H,3-9,14H2,1-2H3,(H,28,29)/t19-/m1/s1.
What are the key properties of (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid?
(6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid has a molecular weight of 440.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-(methoxymethyl)-9-(3-methoxypropoxy)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid is sourced from PubChem (CID 135296847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).