methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate

C15H26N2O4 — CID 11833443

IUPACmethyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
SMILESCOC(=O)[C@]12CCCN1C[C@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)16-11-6-8-15(12(18)20-4)7-5-9-17(15)10-11/h11H,5-10H2,1-4H3,(H,16,19)/t11-,15-/m1/s1
InChIKeyFQPWLXBATCEFSA-IAQYHMDHSA-N
MW298.38 g/mol
LogP1.68
Rot. Bonds2

About methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate

methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate (PubChem CID 11833443) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate.

Molecular Properties

Compound Namemethyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
PubChem CID11833443
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
SMILESCOC(=O)[C@]12CCCN1C[C@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)16-11-6-8-15(12(18)20-4)7-5-9-17(15)10-11/h11H,5-10H2,1-4H3,(H,16,19)/t11-,15-/m1/s1
InChIKeyFQPWLXBATCEFSA-IAQYHMDHSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The IUPAC name of methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate (CID 11833443) is methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate.
What is the SMILES notation for methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The canonical SMILES for methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate is COC(=O)[C@]12CCCN1C[C@H](NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The InChIKey is FQPWLXBATCEFSA-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)16-11-6-8-15(12(18)20-4)7-5-9-17(15)10-11/h11H,5-10H2,1-4H3,(H,16,19)/t11-,15-/m1/s1.
What are the key properties of methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate is sourced from PubChem (CID 11833443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).