benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate

C18H24N2O5 — CID 10593841

IUPACbenzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1
InChIKeyGGNPRFIUKYTFLP-MLCCFXAWSA-N
MW348.40 g/mol
LogP1.41
Rot. Bonds7

About benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate

benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate (PubChem CID 10593841) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate
PubChem CID10593841
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1
InChIKeyGGNPRFIUKYTFLP-MLCCFXAWSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate (CID 10593841) is benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O.
What is the InChIKey of benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate?
The InChIKey is GGNPRFIUKYTFLP-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1.
What are the key properties of benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate?
benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 10593841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).