tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate

C12H19NO4 — CID 170565124

IUPACtert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccco1
InChIInChI=1S/C12H19NO4/c1-8(10(14)9-6-5-7-16-9)13-11(15)17-12(2,3)4/h5-8,10,14H,1-4H3,(H,13,15)/t8-,10-/m1/s1
InChIKeyRVNLHXZYDXSOGI-PSASIEDQSA-N
MW241.29 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate (PubChem CID 170565124) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
PubChem CID170565124
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccco1
InChIInChI=1S/C12H19NO4/c1-8(10(14)9-6-5-7-16-9)13-11(15)17-12(2,3)4/h5-8,10,14H,1-4H3,(H,13,15)/t8-,10-/m1/s1
InChIKeyRVNLHXZYDXSOGI-PSASIEDQSA-N
XLogP2.23
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
CID 121454125
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
CID 102069202
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
tert-butyl (2R,3S)-3-(furan-2-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitropropanoate
CID 102521028
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate (CID 170565124) is tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ccco1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is RVNLHXZYDXSOGI-PSASIEDQSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(10(14)9-6-5-7-16-9)13-11(15)17-12(2,3)4/h5-8,10,14H,1-4H3,(H,13,15)/t8-,10-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 170565124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).