tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate

C14H27NO4 — CID 106508878

IUPACtert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
SMILESCC1CCC(CC(CO)CNC(=O)OC(C)(C)C)O1
InChIInChI=1S/C14H27NO4/c1-10-5-6-12(18-10)7-11(9-16)8-15-13(17)19-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyJQRBSWGOAQJHKJ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.08
Rot. Bonds5

About tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate (PubChem CID 106508878) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
PubChem CID106508878
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
SMILESCC1CCC(CC(CO)CNC(=O)OC(C)(C)C)O1
InChIInChI=1S/C14H27NO4/c1-10-5-6-12(18-10)7-11(9-16)8-15-13(17)19-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyJQRBSWGOAQJHKJ-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
CID 106508968
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
CID 107247044
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[2-(hydroxymethyl)-5-methoxypentyl]carbamate
CID 106508903
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
CID 115630476
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate (CID 106508878) is tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate is CC1CCC(CC(CO)CNC(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate?
The InChIKey is JQRBSWGOAQJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10-5-6-12(18-10)7-11(9-16)8-15-13(17)19-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate is sourced from PubChem (CID 106508878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).