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

C15H19NO6 — CID 134984765

IUPACbenzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate
SMILESCOC[C@H]1OC(=O)[C@H](OC)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO6/c1-19-9-11-12(13(20-2)14(17)22-11)16-15(18)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,18)/t11-,12+,13-/m1/s1
InChIKeyFENUMCJQBYHEQU-FRRDWIJNSA-N
MW309.32 g/mol
LogP0.87
Rot. Bonds6

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

benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate (PubChem CID 134984765) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate
PubChem CID134984765
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Namebenzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate
SMILESCOC[C@H]1OC(=O)[C@H](OC)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO6/c1-19-9-11-12(13(20-2)14(17)22-11)16-15(18)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,18)/t11-,12+,13-/m1/s1
InChIKeyFENUMCJQBYHEQU-FRRDWIJNSA-N
XLogP0.87
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
(S)-Benzyl (2-oxotetrahydrofuran-3-yl)carbamate
CID 489185
benzyl N-(2,5-dioxooxolan-3-yl)carbamate
CID 107296
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
Benzyl (S)-2,5-dioxooxazolidine-4-acetate
CID 114549
N-(2-oxooxolan-3-yl)-2-phenylmethoxyacetamide
CID 44270640
Cbz-D-Homoserine lactone
CID 489186
(R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 697924
(3S)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
CID 17999365
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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate (CID 134984765) is benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate is COC[C@H]1OC(=O)[C@H](OC)[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate?
The InChIKey is FENUMCJQBYHEQU-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H19NO6/c1-19-9-11-12(13(20-2)14(17)22-11)16-15(18)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,16,18)/t11-,12+,13-/m1/s1.
What are the key properties of benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate?
benzyl N-[(2S,3S,4R)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate has a molecular weight of 309.32 g/mol, XLogP of 0.87, 6 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)-4-methoxy-2-(methoxymethyl)-5-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 134984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).