tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate

C15H23NO5 — CID 101373628

IUPACtert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
SMILESC=C[C@@H](OCOC)[C@@H](NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C15H23NO5/c1-6-11(20-10-18-5)13(12-8-7-9-19-12)16-14(17)21-15(2,3)4/h6-9,11,13H,1,10H2,2-5H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyQCYFWPKANCCPCO-DGCLKSJQSA-N
MW297.35 g/mol
LogP3.02
Rot. Bonds7

About tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate

tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate (PubChem CID 101373628) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
PubChem CID101373628
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nametert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
SMILESC=C[C@@H](OCOC)[C@@H](NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C15H23NO5/c1-6-11(20-10-18-5)13(12-8-7-9-19-12)16-14(17)21-15(2,3)4/h6-9,11,13H,1,10H2,2-5H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyQCYFWPKANCCPCO-DGCLKSJQSA-N
XLogP3.02
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
CID 101373624
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[(4R)-3-(methoxymethoxy)-5-oxoocta-1,6,7-trien-4-yl]carbamate
CID 101373626
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate
CID 10309904
tert-butyl (2S,3S)-2-(fluoren-9-ylideneamino)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102575578
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate (CID 101373628) is tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate is C=C[C@@H](OCOC)[C@@H](NC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate?
The InChIKey is QCYFWPKANCCPCO-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H23NO5/c1-6-11(20-10-18-5)13(12-8-7-9-19-12)16-14(17)21-15(2,3)4/h6-9,11,13H,1,10H2,2-5H3,(H,16,17)/t11-,13-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate?
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate is sourced from PubChem (CID 101373628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).