tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate

C21H27NO5 — CID 132530497

IUPACtert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate
SMILESCC[C@@H]([C@H](O)C(=O)c1ccco1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H27NO5/c1-5-16(18(23)19(24)17-12-9-13-26-17)22(20(25)27-21(2,3)4)14-15-10-7-6-8-11-15/h6-13,16,18,23H,5,14H2,1-4H3/t16-,18-/m0/s1
InChIKeyOLFWTRKISWWRPI-WMZOPIPTSA-N
MW373.45 g/mol
LogP4.04
Rot. Bonds7

About tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate

tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate (PubChem CID 132530497) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate
PubChem CID132530497
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Nametert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate
SMILESCC[C@@H]([C@H](O)C(=O)c1ccco1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H27NO5/c1-5-16(18(23)19(24)17-12-9-13-26-17)22(20(25)27-21(2,3)4)14-15-10-7-6-8-11-15/h6-13,16,18,23H,5,14H2,1-4H3/t16-,18-/m0/s1
InChIKeyOLFWTRKISWWRPI-WMZOPIPTSA-N
XLogP4.04
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate with MolForge

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Related Compounds

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate
CID 11089834
methyl 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 155572646
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
CID 71317665
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
CID 57126897
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11575431
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate (CID 132530497) is tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate is CC[C@@H]([C@H](O)C(=O)c1ccco1)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate?
The InChIKey is OLFWTRKISWWRPI-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-16(18(23)19(24)17-12-9-13-26-17)22(20(25)27-21(2,3)4)14-15-10-7-6-8-11-15/h6-13,16,18,23H,5,14H2,1-4H3/t16-,18-/m0/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate?
tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 132530497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).