methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

C12H15NO6 — CID 56988668

IUPACmethyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=CO[C@@H](OC(N)=O)[C@@H]2[C@@H]1C[C@@H]1O[C@]21C
InChIInChI=1S/C12H15NO6/c1-12-7(19-12)3-5-6(9(14)16-2)4-17-10(8(5)12)18-11(13)15/h4-5,7-8,10H,3H2,1-2H3,(H2,13,15)/t5-,7+,8+,10+,12+/m1/s1
InChIKeyXUGKOWNRMXQBIP-UFPVJVFGSA-N
MW269.25 g/mol
LogP0.29
Rot. Bonds2

About methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate (PubChem CID 56988668) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
PubChem CID56988668
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Namemethyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=CO[C@@H](OC(N)=O)[C@@H]2[C@@H]1C[C@@H]1O[C@]21C
InChIInChI=1S/C12H15NO6/c1-12-7(19-12)3-5-6(9(14)16-2)4-17-10(8(5)12)18-11(13)15/h4-5,7-8,10H,3H2,1-2H3,(H2,13,15)/t5-,7+,8+,10+,12+/m1/s1
InChIKeyXUGKOWNRMXQBIP-UFPVJVFGSA-N
XLogP0.29
TPSA100.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The IUPAC name of 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) is methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate is COC(=O)C1=CO[C@@H](OC(N)=O)[C@@H]2[C@@H]1C[C@@H]1O[C@]21C.
What is the InChIKey of methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
The InChIKey is XUGKOWNRMXQBIP-UFPVJVFGSA-N. The full InChI is InChI=1S/C12H15NO6/c1-12-7(19-12)3-5-6(9(14)16-2)4-17-10(8(5)12)18-11(13)15/h4-5,7-8,10H,3H2,1-2H3,(H2,13,15)/t5-,7+,8+,10+,12+/m1/s1.
What are the key properties of methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate?
methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate has a molecular weight of 269.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate is sourced from PubChem (CID 56988668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).