ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate

C11H18N2O3 — CID 139889310

IUPACethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate
SMILESCCOC(=O)CC1=CCN(C(=O)CN)CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-11(15)7-9-3-5-13(6-4-9)10(14)8-12/h3H,2,4-8,12H2,1H3
InChIKeyMZYWVSJPCGOFIV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds4

About ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate

ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate (PubChem CID 139889310) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate
PubChem CID139889310
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate
SMILESCCOC(=O)CC1=CCN(C(=O)CN)CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-11(15)7-9-3-5-13(6-4-9)10(14)8-12/h3H,2,4-8,12H2,1H3
InChIKeyMZYWVSJPCGOFIV-UHFFFAOYSA-N
XLogP0.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate (CID 139889310) is ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate is CCOC(=O)CC1=CCN(C(=O)CN)CC1.
What is the InChIKey of ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate?
The InChIKey is MZYWVSJPCGOFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-16-11(15)7-9-3-5-13(6-4-9)10(14)8-12/h3H,2,4-8,12H2,1H3.
What are the key properties of ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate?
ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-aminoacetyl)-3,6-dihydro-2H-pyridin-4-yl]acetate is sourced from PubChem (CID 139889310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).