tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate

C24H28FNO4 — CID 67718720

IUPACtert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1C[C@@H](Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C24H28FNO4/c1-24(2,3)30-23(28)26-20(14-16-8-5-4-6-9-16)21-15-18(22(27)29-21)12-17-10-7-11-19(25)13-17/h4-11,13,18,20-21H,12,14-15H2,1-3H3,(H,26,28)/t18-,20+,21+/m1/s1
InChIKeySFRVERRYDDBDJF-GIVPXCGWSA-N
MW413.49 g/mol
LogP4.44
Rot. Bonds6

About tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate

tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate (PubChem CID 67718720) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
PubChem CID67718720
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Nametert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1C[C@@H](Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C24H28FNO4/c1-24(2,3)30-23(28)26-20(14-16-8-5-4-6-9-16)21-15-18(22(27)29-21)12-17-10-7-11-19(25)13-17/h4-11,13,18,20-21H,12,14-15H2,1-3H3,(H,26,28)/t18-,20+,21+/m1/s1
InChIKeySFRVERRYDDBDJF-GIVPXCGWSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-[(3-methylbutyl)carbamoyl]-1-phenylpentan-2-yl]carbamate
CID 5480981
[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl heptanoate
CID 44413412
methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoate
CID 5481060
[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413400
methyl (E,2R,5R)-2-benzyl-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
CID 12162456
methyl (2S)-3-[4-(4-fluorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10915710
(2r,5s)-Methyl 5-(t-butoxycarbonylamino)-2-(4-fluoro-benzyl)-6-methyl-4-oxoheptanoate
CID 60144080
Boc-F-psi(HE)-F
CID 3081329
tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-5-oxooxolan-2-yl]ethyl]carbamate
CID 10448866
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 135008118
Tert-butyl 3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138963422
2-fluoroethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 166447151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate (CID 67718720) is tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]1C[C@@H](Cc2cccc(F)c2)C(=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The InChIKey is SFRVERRYDDBDJF-GIVPXCGWSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-24(2,3)30-23(28)26-20(14-16-8-5-4-6-9-16)21-15-18(22(27)29-21)12-17-10-7-11-19(25)13-17/h4-11,13,18,20-21H,12,14-15H2,1-3H3,(H,26,28)/t18-,20+,21+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate has a molecular weight of 413.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(2S,4R)-4-[(3-fluorophenyl)methyl]-5-oxooxolan-2-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 67718720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).