tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

C9H18N2O3 — CID 90436776

IUPACtert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@H]1N
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyHWYDCYLRWDJCCH-RQJHMYQMSA-N
MW202.25 g/mol
LogP0.24
Rot. Bonds1

About tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (PubChem CID 90436776) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
PubChem CID90436776
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@H]1N
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyHWYDCYLRWDJCCH-RQJHMYQMSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (CID 90436776) is tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COC[C@H]1N.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The InChIKey is HWYDCYLRWDJCCH-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is sourced from PubChem (CID 90436776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).