ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H19NO5 — CID 86617818

IUPACethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-5-15-8(13)7(12)6-11-9(14)16-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,14)
InChIKeyGMFIMJDFQGEJNG-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.44
Rot. Bonds4

About ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 86617818) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID86617818
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nameethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO5/c1-5-15-8(13)7(12)6-11-9(14)16-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,14)
InChIKeyGMFIMJDFQGEJNG-UHFFFAOYSA-N
XLogP0.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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 ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 86617818) is ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCOC(=O)C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is GMFIMJDFQGEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-5-15-8(13)7(12)6-11-9(14)16-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,14).
What are the key properties of ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 233.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 86617818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).