benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate

C18H23NO7 — CID 102355002

IUPACbenzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate
SMILESO=C(N[C@@H]1C(=O)O[C@H](CO[C@H]2CCCCO2)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C18H23NO7/c20-16-13(11-24-14-8-4-5-9-23-14)26-17(21)15(16)19-18(22)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-16,20H,4-5,8-11H2,(H,19,22)/t13-,14+,15+,16-/m1/s1
InChIKeyRUNGRQMRUJFMQN-FXUDXRNXSA-N
MW365.38 g/mol
LogP1.11
Rot. Bonds6

About benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate

benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate (PubChem CID 102355002) has the molecular formula C18H23NO7 and a molecular weight of 365.38 g/mol. Its IUPAC name is benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate
PubChem CID102355002
Molecular FormulaC18H23NO7
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Namebenzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate
SMILESO=C(N[C@@H]1C(=O)O[C@H](CO[C@H]2CCCCO2)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C18H23NO7/c20-16-13(11-24-14-8-4-5-9-23-14)26-17(21)15(16)19-18(22)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-16,20H,4-5,8-11H2,(H,19,22)/t13-,14+,15+,16-/m1/s1
InChIKeyRUNGRQMRUJFMQN-FXUDXRNXSA-N
XLogP1.11
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate with MolForge

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Related Compounds

benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
benzyl N-[5-(oxan-2-yloxy)pentyl]carbamate;5-(oxan-2-yloxy)pentan-1-amine
CID 175930994
benzyl N-[[(2R,3S,4S)-5-oxo-3,4-bis(phenylmethoxycarbonylamino)oxolan-2-yl]methyl]carbamate
CID 162966313
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
CID 102510511
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate (CID 102355002) is benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate is O=C(N[C@@H]1C(=O)O[C@H](CO[C@H]2CCCCO2)[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate?
The InChIKey is RUNGRQMRUJFMQN-FXUDXRNXSA-N. The full InChI is InChI=1S/C18H23NO7/c20-16-13(11-24-14-8-4-5-9-23-14)26-17(21)15(16)19-18(22)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-16,20H,4-5,8-11H2,(H,19,22)/t13-,14+,15+,16-/m1/s1.
What are the key properties of benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate?
benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate has a molecular weight of 365.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,4S,5R)-4-hydroxy-5-[[(2S)-oxan-2-yl]oxymethyl]-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 102355002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).