ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate

C11H21NO3 — CID 139938808

IUPACethyl 2-amino-2-(2-hydroxycycloheptyl)acetate
SMILESCCOC(=O)C(N)C1CCCCCC1O
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3
InChIKeyMBURWQGOJWHGIS-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds3

About ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate

ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate (PubChem CID 139938808) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-hydroxycycloheptyl)acetate
PubChem CID139938808
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-amino-2-(2-hydroxycycloheptyl)acetate
SMILESCCOC(=O)C(N)C1CCCCCC1O
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3
InChIKeyMBURWQGOJWHGIS-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate 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-amino-2-(2-hydroxycycloheptyl)acetate?
The IUPAC name of ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate (CID 139938808) is ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate is CCOC(=O)C(N)C1CCCCCC1O.
What is the InChIKey of ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate?
The InChIKey is MBURWQGOJWHGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3.
What are the key properties of ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate?
ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-hydroxycycloheptyl)acetate is sourced from PubChem (CID 139938808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).