tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate

C15H29NO4 — CID 170767545

IUPACtert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1CO
InChIInChI=1S/C15H29NO4/c1-14(2,3)19-12-8-11(10(12)9-17)16(7)13(18)20-15(4,5)6/h10-12,17H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeyUGSIFVXTWWKKAX-UTUOFQBUSA-N
MW287.40 g/mol
LogP2.42
Rot. Bonds3

About tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate

tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate (PubChem CID 170767545) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate
PubChem CID170767545
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1CO
InChIInChI=1S/C15H29NO4/c1-14(2,3)19-12-8-11(10(12)9-17)16(7)13(18)20-15(4,5)6/h10-12,17H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
InChIKeyUGSIFVXTWWKKAX-UTUOFQBUSA-N
XLogP2.42
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-[2,4-bis(hydroxymethyl)-6-methyl-3-methylsulfanylcyclohexyl]-N-methylcarbamate
CID 91241825
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate
CID 164574327
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
CID 18345112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate (CID 170767545) is tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1CO.
What is the InChIKey of tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate?
The InChIKey is UGSIFVXTWWKKAX-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H29NO4/c1-14(2,3)19-12-8-11(10(12)9-17)16(7)13(18)20-15(4,5)6/h10-12,17H,8-9H2,1-7H3/t10-,11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate?
tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate has a molecular weight of 287.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate is sourced from PubChem (CID 170767545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).