4-(2-butoxyacetyl)morpholine-2-carboxylic acid

C11H19NO5 — CID 119239275

IUPAC4-(2-butoxyacetyl)morpholine-2-carboxylic acid
SMILESCCCCOCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-2-3-5-16-8-10(13)12-4-6-17-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyQVHFBLAMEVEEPY-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.12
Rot. Bonds6

About 4-(2-butoxyacetyl)morpholine-2-carboxylic acid

4-(2-butoxyacetyl)morpholine-2-carboxylic acid (PubChem CID 119239275) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(2-butoxyacetyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-butoxyacetyl)morpholine-2-carboxylic acid
PubChem CID119239275
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-(2-butoxyacetyl)morpholine-2-carboxylic acid
SMILESCCCCOCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-2-3-5-16-8-10(13)12-4-6-17-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyQVHFBLAMEVEEPY-UHFFFAOYSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.12
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

2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
CID 119239968
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
(2S)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
2-butoxy-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 71915017
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
4-(3-ethoxypropyl)morpholine-2-carboxylic acid
CID 65180987

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyacetyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-butoxyacetyl)morpholine-2-carboxylic acid (CID 119239275) is 4-(2-butoxyacetyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-butoxyacetyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-butoxyacetyl)morpholine-2-carboxylic acid is CCCCOCC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-butoxyacetyl)morpholine-2-carboxylic acid?
The InChIKey is QVHFBLAMEVEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-3-5-16-8-10(13)12-4-6-17-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(2-butoxyacetyl)morpholine-2-carboxylic acid?
4-(2-butoxyacetyl)morpholine-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyacetyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).