1-aminoethyl 2-hydroxypropanoate;morpholine

C9H20N2O4 — CID 69007653

IUPAC1-aminoethyl 2-hydroxypropanoate;morpholine
SMILESC1COCCN1.CC(N)OC(=O)C(C)O
InChIInChI=1S/C5H11NO3.C4H9NO/c1-3(7)5(8)9-4(2)6;1-3-6-4-2-5-1/h3-4,7H,6H2,1-2H3;5H,1-4H2
InChIKeyQVCKCSUYBFXQIU-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.18
Rot. Bonds2

About 1-aminoethyl 2-hydroxypropanoate;morpholine

1-aminoethyl 2-hydroxypropanoate;morpholine (PubChem CID 69007653) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-aminoethyl 2-hydroxypropanoate;morpholine.

Molecular Properties

Compound Name1-aminoethyl 2-hydroxypropanoate;morpholine
PubChem CID69007653
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name1-aminoethyl 2-hydroxypropanoate;morpholine
SMILESC1COCCN1.CC(N)OC(=O)C(C)O
InChIInChI=1S/C5H11NO3.C4H9NO/c1-3(7)5(8)9-4(2)6;1-3-6-4-2-5-1/h3-4,7H,6H2,1-2H3;5H,1-4H2
InChIKeyQVCKCSUYBFXQIU-UHFFFAOYSA-N
XLogP-1.18
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl 2-hydroxypropanoate;morpholine?
The IUPAC name of 1-aminoethyl 2-hydroxypropanoate;morpholine (CID 69007653) is 1-aminoethyl 2-hydroxypropanoate;morpholine.
What is the SMILES notation for 1-aminoethyl 2-hydroxypropanoate;morpholine?
The canonical SMILES for 1-aminoethyl 2-hydroxypropanoate;morpholine is C1COCCN1.CC(N)OC(=O)C(C)O.
What is the InChIKey of 1-aminoethyl 2-hydroxypropanoate;morpholine?
The InChIKey is QVCKCSUYBFXQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C4H9NO/c1-3(7)5(8)9-4(2)6;1-3-6-4-2-5-1/h3-4,7H,6H2,1-2H3;5H,1-4H2.
What are the key properties of 1-aminoethyl 2-hydroxypropanoate;morpholine?
1-aminoethyl 2-hydroxypropanoate;morpholine has a molecular weight of 220.27 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl 2-hydroxypropanoate;morpholine is sourced from PubChem (CID 69007653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).