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

C13H23NO5 — CID 119248222

IUPAC2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
SMILESCCCCOC(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-4-6-18-10(2)13(17)14-5-7-19-11(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFPCXJJWUBSJTOT-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.89
Rot. Bonds7

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

2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid (PubChem CID 119248222) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
PubChem CID119248222
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
SMILESCCCCOC(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-4-6-18-10(2)13(17)14-5-7-19-11(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFPCXJJWUBSJTOT-UHFFFAOYSA-N
XLogP0.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
CID 119412902
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid (CID 119248222) is 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid is CCCCOC(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is FPCXJJWUBSJTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-4-6-18-10(2)13(17)14-5-7-19-11(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid?
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).