2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid

C9H16N2O5 — CID 79457958

IUPAC2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O5/c12-8(13)6-15-3-2-11-9(14)7-5-10-1-4-16-7/h7,10H,1-6H2,(H,11,14)(H,12,13)
InChIKeyBHBGXDOKZDXZGI-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.81
Rot. Bonds6

About 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid

2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid (PubChem CID 79457958) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
PubChem CID79457958
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CNCCO1
InChIInChI=1S/C9H16N2O5/c12-8(13)6-15-3-2-11-9(14)7-5-10-1-4-16-7/h7,10H,1-6H2,(H,11,14)(H,12,13)
InChIKeyBHBGXDOKZDXZGI-UHFFFAOYSA-N
XLogP-1.81
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid (CID 79457958) is 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)C1CNCCO1.
What is the InChIKey of 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid?
The InChIKey is BHBGXDOKZDXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-8(13)6-15-3-2-11-9(14)7-5-10-1-4-16-7/h7,10H,1-6H2,(H,11,14)(H,12,13).
What are the key properties of 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid?
2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).