methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate

C13H17NO6 — CID 54444248

IUPACmethyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate
SMILESCNC(=O)OC1OC=C(C(=O)OC)C2CC[C@]3(CO3)C12
InChIInChI=1S/C13H17NO6/c1-14-12(16)20-11-9-7(3-4-13(9)6-19-13)8(5-18-11)10(15)17-2/h5,7,9,11H,3-4,6H2,1-2H3,(H,14,16)/t7?,9?,11?,13-/m0/s1
InChIKeyWQIYCOVCDONRHO-AWGWMUBYSA-N
MW283.28 g/mol
LogP0.55
Rot. Bonds2

About methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate

methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate (PubChem CID 54444248) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate
PubChem CID54444248
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate
SMILESCNC(=O)OC1OC=C(C(=O)OC)C2CC[C@]3(CO3)C12
InChIInChI=1S/C13H17NO6/c1-14-12(16)20-11-9-7(3-4-13(9)6-19-13)8(5-18-11)10(15)17-2/h5,7,9,11H,3-4,6H2,1-2H3,(H,14,16)/t7?,9?,11?,13-/m0/s1
InChIKeyWQIYCOVCDONRHO-AWGWMUBYSA-N
XLogP0.55
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-methyl-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 54494028
methyl (1R,2R,4S,6S,10S)-2-(methoxycarbonyloxymethyl)-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 57169203
methyl (1S,7S,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
CID 142950984
methyl 7-hexyl-1-(methylcarbamoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 20652371
methyl (2R)-2-methyl-10-(propan-2-ylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 54007803
methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 56988668
(1R,2R,4S,6S,10S)-2-(methoxycarbonyloxymethyl)-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 18397312
[7-(ethylcarbamoyl)-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl] N-methylcarbamate
CID 20652207
10-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylic acid
CID 19360390
3,7-dimethylocta-2,6-dienyl (1R,2R,4S,6S,10S)-2-methyl-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 57264392
furan-2-ylmethyl (1S,2R,4S,6S,10S)-2-methyl-10-(methylcarbamoyloxy)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 54300216
methyl 7-methyl-1-(pentan-3-ylcarbamoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 20652225

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate?
The IUPAC name of methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate (CID 54444248) is methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate.
What is the SMILES notation for methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate?
The canonical SMILES for methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate is CNC(=O)OC1OC=C(C(=O)OC)C2CC[C@]3(CO3)C12.
What is the InChIKey of methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate?
The InChIKey is WQIYCOVCDONRHO-AWGWMUBYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-14-12(16)20-11-9-7(3-4-13(9)6-19-13)8(5-18-11)10(15)17-2/h5,7,9,11H,3-4,6H2,1-2H3,(H,14,16)/t7?,9?,11?,13-/m0/s1.
What are the key properties of methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate?
methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-1-(methylcarbamoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-carboxylate is sourced from PubChem (CID 54444248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).