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

C20H21NO4 — CID 11067744

IUPACbenzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
SMILESO=C1CC[C@H]([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C20H21NO4/c22-19-12-11-18(25-19)17(13-15-7-3-1-4-8-15)21-20(23)24-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18+/m0/s1
InChIKeyWAMYVJNLZQCQMU-ZWKOTPCHSA-N
MW339.39 g/mol
LogP3.23
Rot. Bonds6

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

benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate (PubChem CID 11067744) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
PubChem CID11067744
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namebenzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
SMILESO=C1CC[C@H]([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C20H21NO4/c22-19-12-11-18(25-19)17(13-15-7-3-1-4-8-15)21-20(23)24-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18+/m0/s1
InChIKeyWAMYVJNLZQCQMU-ZWKOTPCHSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyloxycarbonyl-L-phenylalanine
CID 70878
4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
CID 285247
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-proline methyl ester
CID 11090880
Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate
CID 381816
Ethyl ((benzyloxy)carbonyl)-L-phenylalanylglycinate
CID 12628842
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
benzyl (1R)-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 9819835
1-(5-Benzyloxycarbonylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
CID 44384992

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate (CID 11067744) is benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate is O=C1CC[C@H]([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
The InChIKey is WAMYVJNLZQCQMU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19-12-11-18(25-19)17(13-15-7-3-1-4-8-15)21-20(23)24-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate?
benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate has a molecular weight of 339.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 11067744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).