2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid

C13H23NO5 — CID 119247634

IUPAC2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
SMILESCCCCCOCC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-2-3-4-6-18-10-12(15)14-5-7-19-11(9-14)8-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMAOKARLBRSHVRA-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.90
Rot. Bonds8

About 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid

2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid (PubChem CID 119247634) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
PubChem CID119247634
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
SMILESCCCCCOCC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-2-3-4-6-18-10-12(15)14-5-7-19-11(9-14)8-13(16)17/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMAOKARLBRSHVRA-UHFFFAOYSA-N
XLogP0.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125152120
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid (CID 119247634) is 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid is CCCCCOCC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid?
The InChIKey is MAOKARLBRSHVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-2-3-4-6-18-10-12(15)14-5-7-19-11(9-14)8-13(16)17/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid?
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).