methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate

C10H20N2O3 — CID 115315582

IUPACmethyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
SMILESCOC(=O)C(C)N1CCOC(C(C)N)C1
InChIInChI=1S/C10H20N2O3/c1-7(11)9-6-12(4-5-15-9)8(2)10(13)14-3/h7-9H,4-6,11H2,1-3H3
InChIKeyWXRIJWYZOGSKLI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds3

About methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate

methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate (PubChem CID 115315582) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
PubChem CID115315582
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
SMILESCOC(=O)C(C)N1CCOC(C(C)N)C1
InChIInChI=1S/C10H20N2O3/c1-7(11)9-6-12(4-5-15-9)8(2)10(13)14-3/h7-9H,4-6,11H2,1-3H3
InChIKeyWXRIJWYZOGSKLI-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

ethyl 2-[2-(1-aminoethyl)morpholin-4-yl]pentanoate
CID 83048968
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 115315098
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate?
The IUPAC name of methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate (CID 115315582) is methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate.
What is the SMILES notation for methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate?
The canonical SMILES for methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate is COC(=O)C(C)N1CCOC(C(C)N)C1.
What is the InChIKey of methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate?
The InChIKey is WXRIJWYZOGSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(11)9-6-12(4-5-15-9)8(2)10(13)14-3/h7-9H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate?
methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate has a molecular weight of 216.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate is sourced from PubChem (CID 115315582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).