tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate

C15H29NO5 — CID 11846164

IUPACtert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate
SMILESCC[C@H](OCOC)[C@@H](CC1CO1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-7-13(20-10-18-6)12(8-11-9-19-11)16(5)14(17)21-15(2,3)4/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1
InChIKeyVNRGXUBIVILRLR-HDYSRYHKSA-N
MW303.40 g/mol
LogP2.41
Rot. Bonds8

About tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate

tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate (PubChem CID 11846164) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate
PubChem CID11846164
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nametert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate
SMILESCC[C@H](OCOC)[C@@H](CC1CO1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-7-13(20-10-18-6)12(8-11-9-19-11)16(5)14(17)21-15(2,3)4/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1
InChIKeyVNRGXUBIVILRLR-HDYSRYHKSA-N
XLogP2.41
TPSA60.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate (CID 11846164) is tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate is CC[C@H](OCOC)[C@@H](CC1CO1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate?
The InChIKey is VNRGXUBIVILRLR-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H29NO5/c1-7-13(20-10-18-6)12(8-11-9-19-11)16(5)14(17)21-15(2,3)4/h11-13H,7-10H2,1-6H3/t11?,12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate has a molecular weight of 303.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 11846164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).