2-aminoethyl propan-2-yl carbonate

C6H13NO3 — CID 58655480

IUPAC2-aminoethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCN
InChIInChI=1S/C6H13NO3/c1-5(2)10-6(8)9-4-3-7/h5H,3-4,7H2,1-2H3
InChIKeyLGWNAEYPUBPAAV-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.51
Rot. Bonds3

About 2-aminoethyl propan-2-yl carbonate

2-aminoethyl propan-2-yl carbonate (PubChem CID 58655480) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-aminoethyl propan-2-yl carbonate.

Molecular Properties

Compound Name2-aminoethyl propan-2-yl carbonate
PubChem CID58655480
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-aminoethyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCN
InChIInChI=1S/C6H13NO3/c1-5(2)10-6(8)9-4-3-7/h5H,3-4,7H2,1-2H3
InChIKeyLGWNAEYPUBPAAV-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-aminoethyl propan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl propan-2-yl carbonate?
The IUPAC name of 2-aminoethyl propan-2-yl carbonate (CID 58655480) is 2-aminoethyl propan-2-yl carbonate.
What is the SMILES notation for 2-aminoethyl propan-2-yl carbonate?
The canonical SMILES for 2-aminoethyl propan-2-yl carbonate is CC(C)OC(=O)OCCN.
What is the InChIKey of 2-aminoethyl propan-2-yl carbonate?
The InChIKey is LGWNAEYPUBPAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(2)10-6(8)9-4-3-7/h5H,3-4,7H2,1-2H3.
What are the key properties of 2-aminoethyl propan-2-yl carbonate?
2-aminoethyl propan-2-yl carbonate has a molecular weight of 147.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl propan-2-yl carbonate is sourced from PubChem (CID 58655480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).