tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate

C15H27NO4 — CID 134860000

IUPACtert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](C=C)OCOC
InChIInChI=1S/C15H27NO4/c1-8-10-16(14(17)20-15(4,5)6)12(3)13(9-2)19-11-18-7/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13-/m0/s1
InChIKeyLESUECSLIZANMW-STQMWFEESA-N
MW285.38 g/mol
LogP2.97
Rot. Bonds8

About tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate (PubChem CID 134860000) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
PubChem CID134860000
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](C=C)OCOC
InChIInChI=1S/C15H27NO4/c1-8-10-16(14(17)20-15(4,5)6)12(3)13(9-2)19-11-18-7/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13-/m0/s1
InChIKeyLESUECSLIZANMW-STQMWFEESA-N
XLogP2.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.97
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 3-methoxycarbonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11414208
tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate
CID 102077689
tert-butyl (4S)-4-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835532
tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134859983
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-[(2S,3R)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamic acid
CID 88898056
tert-butyl-[(2S,3S)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamic acid
CID 88898057
tert-butyl (4S)-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 121380685
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 126530957
but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
CID 175393012
Tert-butyl 5-ethenyl-2-methoxy-1,3-oxazolidine-3-carboxylate
CID 10014045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate (CID 134860000) is tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](C=C)OCOC.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
The InChIKey is LESUECSLIZANMW-STQMWFEESA-N. The full InChI is InChI=1S/C15H27NO4/c1-8-10-16(14(17)20-15(4,5)6)12(3)13(9-2)19-11-18-7/h8-9,12-13H,1-2,10-11H2,3-7H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate has a molecular weight of 285.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 134860000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).