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

C14H16BrNO4 — CID 66434767

IUPAC2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1c(Br)cccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16BrNO4/c1-9-11(3-2-4-12(9)15)14(19)16-5-6-20-10(8-16)7-13(17)18/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeyCOKHZAWOMRREIW-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.07
Rot. Bonds3

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

2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66434767) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID66434767
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1c(Br)cccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H16BrNO4/c1-9-11(3-2-4-12(9)15)14(19)16-5-6-20-10(8-16)7-13(17)18/h2-4,10H,5-8H2,1H3,(H,17,18)
InChIKeyCOKHZAWOMRREIW-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

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Related Compounds

2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid (CID 66434767) is 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid is Cc1c(Br)cccc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is COKHZAWOMRREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-9-11(3-2-4-12(9)15)14(19)16-5-6-20-10(8-16)7-13(17)18/h2-4,10H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-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-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).