2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid

C15H19NO5 — CID 119248791

IUPAC2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCCOc1cccc(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-3-4-11(8-12)15(19)16-6-7-21-13(10-16)9-14(17)18/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyDMRSZELHHWHBAC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid

2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119248791) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID119248791
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCCOc1cccc(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-3-4-11(8-12)15(19)16-6-7-21-13(10-16)9-14(17)18/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyDMRSZELHHWHBAC-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
CID 119247768

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid (CID 119248791) is 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid is CCOc1cccc(C(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is DMRSZELHHWHBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-12-5-3-4-11(8-12)15(19)16-6-7-21-13(10-16)9-14(17)18/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).