methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate

C10H20N2O3 — CID 114398668

IUPACmethyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCCN1CCOC(CN)C1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)3-2-4-12-5-6-15-9(7-11)8-12/h9H,2-8,11H2,1H3
InChIKeyRLOLJAVJOBINAV-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds5

About methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate

methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate (PubChem CID 114398668) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
PubChem CID114398668
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCCN1CCOC(CN)C1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)3-2-4-12-5-6-15-9(7-11)8-12/h9H,2-8,11H2,1H3
InChIKeyRLOLJAVJOBINAV-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-(morpholin-4-yl)butanoate--hydrogen chloride (1/1)
CID 44857
gamma-Aminobutyrylcholine
CID 164658
Methyl 2-(methylamino)-4-(morpholin-4-yl)butanoate dihydrochloride
CID 154832910
Methyl 4-morpholinobutanoate
CID 44858
Methyl 2-(methylamino)-4-(morpholin-4-yl)butanoate
CID 63029727
Methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate
CID 103366426
Methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate
CID 115533922
2-(Dimethylamino)ethyl 4-aminobutanoate
CID 413181
Ethyl 4-(2,6-Dimethyl-4-morpholinyl)butyrate
CID 13191868
Ethyl 4-morpholinobutanoate
CID 13191881
Ethyl 2-(morpholin-2-yl)acetate
CID 21959274
Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride
CID 22069125

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate?
The IUPAC name of methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate (CID 114398668) is methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate?
The canonical SMILES for methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate is COC(=O)CCCN1CCOC(CN)C1.
What is the InChIKey of methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate?
The InChIKey is RLOLJAVJOBINAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-10(13)3-2-4-12-5-6-15-9(7-11)8-12/h9H,2-8,11H2,1H3.
What are the key properties of methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate?
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate has a molecular weight of 216.28 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate is sourced from PubChem (CID 114398668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).