benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate

C21H23NO6 — CID 134983762

IUPACbenzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate
SMILESCOC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO6/c1-25-14-17-18(22-21(24)27-13-16-10-6-3-7-11-16)19(20(23)28-17)26-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3,(H,22,24)/t17-,18+,19-/m1/s1
InChIKeyCVTUJWUGCYUSDG-CEXWTWQISA-N
MW385.42 g/mol
LogP2.44
Rot. Bonds8

About benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate

benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate (PubChem CID 134983762) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate
PubChem CID134983762
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Namebenzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate
SMILESCOC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO6/c1-25-14-17-18(22-21(24)27-13-16-10-6-3-7-11-16)19(20(23)28-17)26-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3,(H,22,24)/t17-,18+,19-/m1/s1
InChIKeyCVTUJWUGCYUSDG-CEXWTWQISA-N
XLogP2.44
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
1-O-[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-O-benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 76335672
(R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 697924
benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 6918598
benzyl N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 9948941
(4-Methyl-5-oxo-tetrahydro-furan-3-YL)-carbamic acid benzyl ester
CID 10106100
(S)-3-(benzyloxycarbonylamino)-4-oxo-5-(5-phenylpentyloxy)pentanoic acid
CID 49864837
Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 562277
Benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate
CID 2843932
methyl (3S)-3-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)-3-(phenylmethoxycarbonylamino)propanoate
CID 102092423
tert-Butyl (2S,3R)-3-(((benzyloxy)carbonyl)amino)-2-hydroxybutanoate
CID 10781185
(S)-Benzyl 2-(2-oxooxazolidin-4-YL)acetate
CID 11241814

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate (CID 134983762) is benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate is COC[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate?
The InChIKey is CVTUJWUGCYUSDG-CEXWTWQISA-N. The full InChI is InChI=1S/C21H23NO6/c1-25-14-17-18(22-21(24)27-13-16-10-6-3-7-11-16)19(20(23)28-17)26-12-15-8-4-2-5-9-15/h2-11,17-19H,12-14H2,1H3,(H,22,24)/t17-,18+,19-/m1/s1.
What are the key properties of benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate?
benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate is sourced from PubChem (CID 134983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).