ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate

C13H26N2O3 — CID 83049651

IUPACethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC1CNCCO1
InChIInChI=1S/C13H26N2O3/c1-4-6-12(13(16)17-5-2)15(3)10-11-9-14-7-8-18-11/h11-12,14H,4-10H2,1-3H3
InChIKeyLBOZICROWJIGGK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds7

About ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate

ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate (PubChem CID 83049651) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
PubChem CID83049651
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC1CNCCO1
InChIInChI=1S/C13H26N2O3/c1-4-6-12(13(16)17-5-2)15(3)10-11-9-14-7-8-18-11/h11-12,14H,4-10H2,1-3H3
InChIKeyLBOZICROWJIGGK-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
CID 165157175
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 64533243
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
2-(morpholin-2-ylmethoxy)pentanoic acid
CID 106940857
morpholin-2-ylmethyl N,N-dimethylcarbamate
CID 114469366
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
1-morpholin-2-ylbutan-2-one
CID 116586154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate (CID 83049651) is ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate is CCCC(C(=O)OCC)N(C)CC1CNCCO1.
What is the InChIKey of ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate?
The InChIKey is LBOZICROWJIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-12(13(16)17-5-2)15(3)10-11-9-14-7-8-18-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate?
ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate has a molecular weight of 258.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate is sourced from PubChem (CID 83049651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).