ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate

C14H28N2O3 — CID 63054333

IUPACethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CCN1CC(C)OC(C)(C)C1)NC
InChIInChI=1S/C14H28N2O3/c1-6-18-13(17)12(15-5)7-8-16-9-11(2)19-14(3,4)10-16/h11-12,15H,6-10H2,1-5H3
InChIKeyBTBINCREQHRCSU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds6

About ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate

ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate (PubChem CID 63054333) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
PubChem CID63054333
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
SMILESCCOC(=O)C(CCN1CC(C)OC(C)(C)C1)NC
InChIInChI=1S/C14H28N2O3/c1-6-18-13(17)12(15-5)7-8-16-9-11(2)19-14(3,4)10-16/h11-12,15H,6-10H2,1-5H3
InChIKeyBTBINCREQHRCSU-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552
ethyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054024
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
2-(methylamino)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64790156
6-(2,2,6-trimethylmorpholin-4-yl)hexan-3-ol
CID 106802367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate (CID 63054333) is ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate is CCOC(=O)C(CCN1CC(C)OC(C)(C)C1)NC.
What is the InChIKey of ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate?
The InChIKey is BTBINCREQHRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-18-13(17)12(15-5)7-8-16-9-11(2)19-14(3,4)10-16/h11-12,15H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate?
ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 63054333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).