ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate

C15H30N2O3 — CID 60687522

IUPACethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
SMILESCCOC(=O)CCCNCC1CN(CC(C)C)CCO1
InChIInChI=1S/C15H30N2O3/c1-4-19-15(18)6-5-7-16-10-14-12-17(8-9-20-14)11-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyBEUGVBKEPSETJU-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.28
Rot. Bonds9

About ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate

ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate (PubChem CID 60687522) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
PubChem CID60687522
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
SMILESCCOC(=O)CCCNCC1CN(CC(C)C)CCO1
InChIInChI=1S/C15H30N2O3/c1-4-19-15(18)6-5-7-16-10-14-12-17(8-9-20-14)11-13(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyBEUGVBKEPSETJU-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
methyl 3-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111368840
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate?
The IUPAC name of ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate (CID 60687522) is ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate.
What is the SMILES notation for ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate?
The canonical SMILES for ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate is CCOC(=O)CCCNCC1CN(CC(C)C)CCO1.
What is the InChIKey of ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate?
The InChIKey is BEUGVBKEPSETJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-19-15(18)6-5-7-16-10-14-12-17(8-9-20-14)11-13(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate?
ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate has a molecular weight of 286.42 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate is sourced from PubChem (CID 60687522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).