methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate

C11H22N2O3 — CID 115533916

IUPACmethyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCCN)CCO1
InChIInChI=1S/C11H22N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-9,12H2,1H3
InChIKeyJHQNOSKRDTUYNB-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds6

About methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate

methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate (PubChem CID 115533916) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
PubChem CID115533916
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCCN)CCO1
InChIInChI=1S/C11H22N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-9,12H2,1H3
InChIKeyJHQNOSKRDTUYNB-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
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

methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
CID 96529359
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate (CID 115533916) is methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCCCN)CCO1.
What is the InChIKey of methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate?
The InChIKey is JHQNOSKRDTUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-9,12H2,1H3.
What are the key properties of methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate has a molecular weight of 230.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115533916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).