2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid

C16H19NO5 — CID 119248384

IUPAC2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
SMILESC=CCOc1ccccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C16H19NO5/c1-2-8-22-14-6-4-3-5-13(14)16(20)17-7-9-21-12(11-17)10-15(18)19/h2-6,12H,1,7-11H2,(H,18,19)
InChIKeyLWAZYHUOZNAXPD-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.57
Rot. Bonds6

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

2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119248384) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID119248384
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
SMILESC=CCOc1ccccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C16H19NO5/c1-2-8-22-14-6-4-3-5-13(14)16(20)17-7-9-21-12(11-17)10-15(18)19/h2-6,12H,1,7-11H2,(H,18,19)
InChIKeyLWAZYHUOZNAXPD-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
CID 113375734
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
2-[4-(2-propylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid (CID 119248384) is 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid is C=CCOc1ccccc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is LWAZYHUOZNAXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-8-22-14-6-4-3-5-13(14)16(20)17-7-9-21-12(11-17)10-15(18)19/h2-6,12H,1,7-11H2,(H,18,19).
What are the key properties of 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).