benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate

C18H23NO5 — CID 15370911

IUPACbenzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)C(=O)C[C@H]1OC(=O)C[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)15(20)10-14-13(9-16(21)24-14)19-17(22)23-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)/t13-,14+/m0/s1
InChIKeySKWFWWBRTQYCQJ-UONOGXRCSA-N
MW333.38 g/mol
LogP2.60
Rot. Bonds5

About benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate

benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate (PubChem CID 15370911) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate
PubChem CID15370911
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namebenzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)C(=O)C[C@H]1OC(=O)C[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)15(20)10-14-13(9-16(21)24-14)19-17(22)23-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)/t13-,14+/m0/s1
InChIKeySKWFWWBRTQYCQJ-UONOGXRCSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate (CID 15370911) is benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate is CC(C)(C)C(=O)C[C@H]1OC(=O)C[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate?
The InChIKey is SKWFWWBRTQYCQJ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2,3)15(20)10-14-13(9-16(21)24-14)19-17(22)23-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,22)/t13-,14+/m0/s1.
What are the key properties of benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate?
benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate has a molecular weight of 333.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3S)-2-(3,3-dimethyl-2-oxobutyl)-5-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 15370911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).