tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate

C14H25NO3 — CID 59552198

IUPACtert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO3/c1-6-7-11-8-9-12(10(2)17-11)15-13(16)18-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16)/t10-,11+,12-/m1/s1
InChIKeyUHBAKHPCKWMEHQ-GRYCIOLGSA-N
MW255.36 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate

tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate (PubChem CID 59552198) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
PubChem CID59552198
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO3/c1-6-7-11-8-9-12(10(2)17-11)15-13(16)18-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16)/t10-,11+,12-/m1/s1
InChIKeyUHBAKHPCKWMEHQ-GRYCIOLGSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate (CID 59552198) is tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate is C=CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1.
What is the InChIKey of tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The InChIKey is UHBAKHPCKWMEHQ-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-11-8-9-12(10(2)17-11)15-13(16)18-14(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,15,16)/t10-,11+,12-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate is sourced from PubChem (CID 59552198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).