ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate

C16H26N6O4 — CID 45216690

IUPACethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C16H26N6O4/c1-2-26-16(24)9-13-12-25-8-7-21(13)15(23)11-22-14(17-18-19-22)10-20-5-3-4-6-20/h13H,2-12H2,1H3
InChIKeyQLCYGHOOQXYRKC-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.55
Rot. Bonds7

About ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate

ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate (PubChem CID 45216690) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate
PubChem CID45216690
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Nameethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C16H26N6O4/c1-2-26-16(24)9-13-12-25-8-7-21(13)15(23)11-22-14(17-18-19-22)10-20-5-3-4-6-20/h13H,2-12H2,1H3
InChIKeyQLCYGHOOQXYRKC-UHFFFAOYSA-N
XLogP-0.55
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate (CID 45216690) is ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)Cn1nnnc1CN1CCCC1.
What is the InChIKey of ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate?
The InChIKey is QLCYGHOOQXYRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-2-26-16(24)9-13-12-25-8-7-21(13)15(23)11-22-14(17-18-19-22)10-20-5-3-4-6-20/h13H,2-12H2,1H3.
What are the key properties of ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate?
ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate has a molecular weight of 366.42 g/mol, XLogP of -0.55, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]morpholin-3-yl]acetate is sourced from PubChem (CID 45216690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).