methyl 4-(2-aminoethyl)morpholine-3-carboxylate

C8H16N2O3 — CID 59215801

IUPACmethyl 4-(2-aminoethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCN
InChIInChI=1S/C8H16N2O3/c1-12-8(11)7-6-13-5-4-10(7)3-2-9/h7H,2-6,9H2,1H3
InChIKeyWESRIBNAIMRDFG-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.18
Rot. Bonds3

About methyl 4-(2-aminoethyl)morpholine-3-carboxylate

methyl 4-(2-aminoethyl)morpholine-3-carboxylate (PubChem CID 59215801) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)morpholine-3-carboxylate
PubChem CID59215801
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 4-(2-aminoethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCN
InChIInChI=1S/C8H16N2O3/c1-12-8(11)7-6-13-5-4-10(7)3-2-9/h7H,2-6,9H2,1H3
InChIKeyWESRIBNAIMRDFG-UHFFFAOYSA-N
XLogP-1.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-aminoethyl)morpholine-3-carboxylate (CID 59215801) is methyl 4-(2-aminoethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CCN.
What is the InChIKey of methyl 4-(2-aminoethyl)morpholine-3-carboxylate?
The InChIKey is WESRIBNAIMRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-8(11)7-6-13-5-4-10(7)3-2-9/h7H,2-6,9H2,1H3.
What are the key properties of methyl 4-(2-aminoethyl)morpholine-3-carboxylate?
methyl 4-(2-aminoethyl)morpholine-3-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)morpholine-3-carboxylate is sourced from PubChem (CID 59215801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).