2-[(2-morpholin-4-ylacetyl)amino]propanoic acid

C9H16N2O4 — CID 20586174

IUPAC2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyQODDXXKYBMUIEE-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.09
Rot. Bonds4

About 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid

2-[(2-morpholin-4-ylacetyl)amino]propanoic acid (PubChem CID 20586174) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
PubChem CID20586174
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyQODDXXKYBMUIEE-UHFFFAOYSA-N
XLogP-1.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid (CID 20586174) is 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid is CC(NC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The InChIKey is QODDXXKYBMUIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(9(13)14)10-8(12)6-11-2-4-15-5-3-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
2-[(2-morpholin-4-ylacetyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 20586174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).