ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate

C10H17NO3 — CID 19070281

IUPACethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCC=CO1
InChIInChI=1S/C10H17NO3/c1-2-13-10(12)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeySRSXNGSSIGQFTJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate

ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate (PubChem CID 19070281) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
PubChem CID19070281
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCC=CO1
InChIInChI=1S/C10H17NO3/c1-2-13-10(12)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3
InChIKeySRSXNGSSIGQFTJ-UHFFFAOYSA-N
XLogP0.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)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-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate (CID 19070281) is ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate is CCOC(=O)CNCC1CCC=CO1.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
The InChIKey is SRSXNGSSIGQFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-13-10(12)8-11-7-9-5-3-4-6-14-9/h4,6,9,11H,2-3,5,7-8H2,1H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate?
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate has a molecular weight of 199.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate is sourced from PubChem (CID 19070281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).