tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate

C10H20N2O3 — CID 71744122

IUPACtert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CCOC1
InChIInChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-10(6-11)4-5-14-7-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyGBPPASYXYUJDQC-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.63
Rot. Bonds2

About tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate

tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate (PubChem CID 71744122) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate
PubChem CID71744122
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CN)CCOC1
InChIInChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-10(6-11)4-5-14-7-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyGBPPASYXYUJDQC-UHFFFAOYSA-N
XLogP0.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate (CID 71744122) is tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate is CC(C)(C)OC(=O)NC1(CN)CCOC1.
What is the InChIKey of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate?
The InChIKey is GBPPASYXYUJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-10(6-11)4-5-14-7-10/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate?
tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(aminomethyl)oxolan-3-yl]carbamate is sourced from PubChem (CID 71744122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).