ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate

C19H27N3O5 — CID 74778132

IUPACethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3
InChIKeyZZYIPNPUGCXGPQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP0.48
Rot. Bonds7

About ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate

ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate (PubChem CID 74778132) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
PubChem CID74778132
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1
InChIInChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3
InChIKeyZZYIPNPUGCXGPQ-UHFFFAOYSA-N
XLogP0.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate (CID 74778132) is ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)C1CC(COc2ccccc2)NN1.
What is the InChIKey of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
The InChIKey is ZZYIPNPUGCXGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-2-26-18(23)11-15-13-25-9-8-22(15)19(24)17-10-14(20-21-17)12-27-16-6-4-3-5-7-16/h3-7,14-15,17,20-21H,2,8-13H2,1H3.
What are the key properties of ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate?
ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate has a molecular weight of 377.44 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate is sourced from PubChem (CID 74778132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).