ethyl 3-methyl-3-morpholin-4-ylpentanoate

C12H23NO3 — CID 64528777

IUPACethyl 3-methyl-3-morpholin-4-ylpentanoate
SMILESCCOC(=O)CC(C)(CC)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-4-12(3,10-11(14)16-5-2)13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeyIUIDCNTZSRUDFW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds5

About ethyl 3-methyl-3-morpholin-4-ylpentanoate

ethyl 3-methyl-3-morpholin-4-ylpentanoate (PubChem CID 64528777) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-methyl-3-morpholin-4-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-morpholin-4-ylpentanoate
PubChem CID64528777
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-methyl-3-morpholin-4-ylpentanoate
SMILESCCOC(=O)CC(C)(CC)N1CCOCC1
InChIInChI=1S/C12H23NO3/c1-4-12(3,10-11(14)16-5-2)13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeyIUIDCNTZSRUDFW-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
CID 64528974
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
CID 64529180
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030
4-(3,5,5-trimethylhexan-3-yl)morpholine
CID 123863287
ethyl 3-(azepan-1-yl)-3,6-dimethylheptanoate
CID 64527819
ethyl 3,6-dimethyl-3-(4-methylpiperazin-1-yl)heptanoate
CID 65421872
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51082357
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-morpholin-4-ylpentanoate?
The IUPAC name of ethyl 3-methyl-3-morpholin-4-ylpentanoate (CID 64528777) is ethyl 3-methyl-3-morpholin-4-ylpentanoate.
What is the SMILES notation for ethyl 3-methyl-3-morpholin-4-ylpentanoate?
The canonical SMILES for ethyl 3-methyl-3-morpholin-4-ylpentanoate is CCOC(=O)CC(C)(CC)N1CCOCC1.
What is the InChIKey of ethyl 3-methyl-3-morpholin-4-ylpentanoate?
The InChIKey is IUIDCNTZSRUDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(3,10-11(14)16-5-2)13-6-8-15-9-7-13/h4-10H2,1-3H3.
What are the key properties of ethyl 3-methyl-3-morpholin-4-ylpentanoate?
ethyl 3-methyl-3-morpholin-4-ylpentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-morpholin-4-ylpentanoate is sourced from PubChem (CID 64528777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).