tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate

C11H21NO4 — CID 105489495

IUPACtert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-4-11(14)5-7-15-8-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyUCHYAPLBLVOVSR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.05
Rot. Bonds3

About tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate

tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate (PubChem CID 105489495) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
PubChem CID105489495
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-4-11(14)5-7-15-8-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyUCHYAPLBLVOVSR-UHFFFAOYSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methylamino)ethyl]oxolan-3-ol
CID 83904982
tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
CID 167723194
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
tert-butyl N-[[(3R,4R)-3,4-dihydroxyoxan-4-yl]methyl]carbamate;osmium
CID 175946854
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[3-[(3-methyloxan-3-yl)amino]propyl]carbamate
CID 107095372
tert-butyl (3R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-oxooxolane-3-carboxylate
CID 102167651
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
CID 84703390
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxepane-6-carboxylic acid
CID 130559641

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate (CID 105489495) is tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1(O)CCOC1.
What is the InChIKey of tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate?
The InChIKey is UCHYAPLBLVOVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-4-11(14)5-7-15-8-11/h14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate?
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate is sourced from PubChem (CID 105489495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).