benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate

C21H23NO5 — CID 11462809

IUPACbenzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
SMILESO=C1CC[C@@H]([C@@H](COCc2ccccc2)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C21H23NO5/c23-20-12-11-19(27-20)18(15-25-13-16-7-3-1-4-8-16)22-21(24)26-14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyKTDQHXLBUSKANL-MOPGFXCFSA-N
MW369.42 g/mol
LogP3.20
Rot. Bonds8

About benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate

benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate (PubChem CID 11462809) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
PubChem CID11462809
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namebenzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
SMILESO=C1CC[C@@H]([C@@H](COCc2ccccc2)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C21H23NO5/c23-20-12-11-19(27-20)18(15-25-13-16-7-3-1-4-8-16)22-21(24)26-14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyKTDQHXLBUSKANL-MOPGFXCFSA-N
XLogP3.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
CID 285247
N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-proline methyl ester
CID 11090880
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
CID 24313
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
Carbobenzyloxyglycylglycyl-L-proline benzyl ester
CID 297813
Z-D-Orn(Z)-OH
CID 102777
N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
CID 18755
N-((Phenylmethoxy)carbonyl)-D-phenylalanine ethenyl ester
CID 47328
N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester
CID 47329
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, D-
CID 47330
N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine
CID 7269422
N2,N6-Dibenzyloxycarbonyl-L-lysine
CID 98197

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate (CID 11462809) is benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate is O=C1CC[C@@H]([C@@H](COCc2ccccc2)NC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate?
The InChIKey is KTDQHXLBUSKANL-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23NO5/c23-20-12-11-19(27-20)18(15-25-13-16-7-3-1-4-8-16)22-21(24)26-14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate?
benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate is sourced from PubChem (CID 11462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).