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

C11H19NO3 — CID 62065108

IUPACethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H19NO3/c1-3-14-11(13)9(2)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyZMRFORPOIXTOBZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds5

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

ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate (PubChem CID 62065108) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
PubChem CID62065108
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C11H19NO3/c1-3-14-11(13)9(2)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyZMRFORPOIXTOBZ-UHFFFAOYSA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate (CID 62065108) is ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate is CCOC(=O)C(C)NCC1CCC=CO1.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate?
The InChIKey is ZMRFORPOIXTOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-14-11(13)9(2)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate?
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.22, 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)propanoate is sourced from PubChem (CID 62065108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).