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

C14H16BrNO4 — CID 107981509

IUPAC2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
SMILESCc1cccc(C(=O)N2CCOCC2CC(=O)O)c1Br
InChIInChI=1S/C14H16BrNO4/c1-9-3-2-4-11(13(9)15)14(19)16-5-6-20-8-10(16)7-12(17)18/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeySSQOHDWCGVXZFY-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.07
Rot. Bonds3

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

2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid (PubChem CID 107981509) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
PubChem CID107981509
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
SMILESCc1cccc(C(=O)N2CCOCC2CC(=O)O)c1Br
InChIInChI=1S/C14H16BrNO4/c1-9-3-2-4-11(13(9)15)14(19)16-5-6-20-8-10(16)7-12(17)18/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeySSQOHDWCGVXZFY-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-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

2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid (CID 107981509) is 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid is Cc1cccc(C(=O)N2CCOCC2CC(=O)O)c1Br.
What is the InChIKey of 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is SSQOHDWCGVXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-9-3-2-4-11(13(9)15)14(19)16-5-6-20-8-10(16)7-12(17)18/h2-4,10H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid?
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 342.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 107981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).