tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate

C10H22N2O2 — CID 91647492

IUPACtert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)CN
InChIInChI=1S/C10H22N2O2/c1-6-12(8(2)7-11)9(13)14-10(3,4)5/h8H,6-7,11H2,1-5H3/t8-/m1/s1
InChIKeyBCXIODCAQHGGLG-MRVPVSSYSA-N
MW202.30 g/mol
LogP1.59
Rot. Bonds3

About tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate

tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate (PubChem CID 91647492) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate
PubChem CID91647492
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)CN
InChIInChI=1S/C10H22N2O2/c1-6-12(8(2)7-11)9(13)14-10(3,4)5/h8H,6-7,11H2,1-5H3/t8-/m1/s1
InChIKeyBCXIODCAQHGGLG-MRVPVSSYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate (CID 91647492) is tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)[C@H](C)CN.
What is the InChIKey of tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate?
The InChIKey is BCXIODCAQHGGLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-6-12(8(2)7-11)9(13)14-10(3,4)5/h8H,6-7,11H2,1-5H3/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate?
tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-aminopropan-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 91647492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).