tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C13H23NO4 — CID 134859983

IUPACtert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOCO[C@H]1C=CCN(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C13H23NO4/c1-10-11(17-9-16-5)7-6-8-14(10)12(15)18-13(2,3)4/h6-7,10-11H,8-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAYUONAYINVDVCG-QWRGUYRKSA-N
MW257.33 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134859983) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134859983
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOCO[C@H]1C=CCN(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C13H23NO4/c1-10-11(17-9-16-5)7-6-8-14(10)12(15)18-13(2,3)4/h6-7,10-11H,8-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyAYUONAYINVDVCG-QWRGUYRKSA-N
XLogP2.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 134860000
tert-butyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10879283
Tert-butyl 3-methoxycarbonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11414208
tert-butyl N-[(2S)-2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 16038155
tert-butyl N-[2-(methoxymethoxy)but-3-enyl]-N-prop-2-enylcarbamate
CID 73223434
tert-butyl 3-butoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118146693
tert-butyl 3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118343777
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 126530957
3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 126673966
tert-butyl 3-formyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 126690558
tert-butyl (4R,5S)-5-ethenyl-2-methoxy-4-methyl-1,3-oxazolidine-3-carboxylate
CID 10014665
tert-butyl (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylate
CID 10083697

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134859983) is tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is COCO[C@H]1C=CCN(C(=O)OC(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is AYUONAYINVDVCG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10-11(17-9-16-5)7-6-8-14(10)12(15)18-13(2,3)4/h6-7,10-11H,8-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134859983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).