cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate

C12H19NO4 — CID 166272620

IUPACcyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate
SMILESCC1(C)CN(C(=O)OC2CC2)[C@@H]2COC[C@H]2O1
InChIInChI=1S/C12H19NO4/c1-12(2)7-13(11(14)16-8-3-4-8)9-5-15-6-10(9)17-12/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyFZXDSAVIQFPRNQ-NXEZZACHSA-N
MW241.29 g/mol
LogP1.16
Rot. Bonds1

About cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate

cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate (PubChem CID 166272620) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate
PubChem CID166272620
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namecyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate
SMILESCC1(C)CN(C(=O)OC2CC2)[C@@H]2COC[C@H]2O1
InChIInChI=1S/C12H19NO4/c1-12(2)7-13(11(14)16-8-3-4-8)9-5-15-6-10(9)17-12/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyFZXDSAVIQFPRNQ-NXEZZACHSA-N
XLogP1.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate?
The IUPAC name of cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate (CID 166272620) is cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate is CC1(C)CN(C(=O)OC2CC2)[C@@H]2COC[C@H]2O1.
What is the InChIKey of cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate?
The InChIKey is FZXDSAVIQFPRNQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)7-13(11(14)16-8-3-4-8)9-5-15-6-10(9)17-12/h8-10H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate?
cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 166272620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).