tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate

C11H19NO3 — CID 102171696

IUPACtert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESC[C@@H]1OC=CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(6-5-7-14-8)12-10(13)15-11(2,3)4/h5,7-9H,6H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyWCHNMLDUCRIVCY-DTWKUNHWSA-N
MW213.28 g/mol
LogP2.20
Rot. Bonds1

About tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate

tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 102171696) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
PubChem CID102171696
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESC[C@@H]1OC=CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8-9(6-5-7-14-8)12-10(13)15-11(2,3)4/h5,7-9H,6H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyWCHNMLDUCRIVCY-DTWKUNHWSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
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Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
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tert-butyl N-(2-hydroxyhex-5-en-3-yl)carbamate
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[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl] formate
CID 89280637
[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]carbamic acid
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tert-butyl N-(4-azido-3,4-dihydro-2H-pyran-3-yl)carbamate
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tert-butyl N-[(3R)-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 143810595
tert-butyl N-(1-pent-4-enoxypropan-2-yl)carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate (CID 102171696) is tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate is C[C@@H]1OC=CC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is WCHNMLDUCRIVCY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-9(6-5-7-14-8)12-10(13)15-11(2,3)4/h5,7-9H,6H2,1-4H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate?
tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 102171696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).