(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid

C14H16BrNO6 — CID 129466116

IUPAC(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc(OC)c1Br
InChIInChI=1S/C14H16BrNO6/c1-20-9-5-8(6-10(21-2)12(9)15)13(17)16-3-4-22-11(7-16)14(18)19/h5-6,11H,3-4,7H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyFGYFJHQPPNIBFL-LLVKDONJSA-N
MW374.19 g/mol
LogP1.39
Rot. Bonds4

About (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid

(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid (PubChem CID 129466116) has the molecular formula C14H16BrNO6 and a molecular weight of 374.19 g/mol. Its IUPAC name is (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
PubChem CID129466116
Molecular FormulaC14H16BrNO6
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc(OC)c1Br
InChIInChI=1S/C14H16BrNO6/c1-20-9-5-8(6-10(21-2)12(9)15)13(17)16-3-4-22-11(7-16)14(18)19/h5-6,11H,3-4,7H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyFGYFJHQPPNIBFL-LLVKDONJSA-N
XLogP1.39
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
1-(4-bromo-3,5-dimethoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031265
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
CID 119239798
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104
(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid
CID 129468666
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid (CID 129466116) is (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid is COc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc(OC)c1Br.
What is the InChIKey of (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid?
The InChIKey is FGYFJHQPPNIBFL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrNO6/c1-20-9-5-8(6-10(21-2)12(9)15)13(17)16-3-4-22-11(7-16)14(18)19/h5-6,11H,3-4,7H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid?
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid has a molecular weight of 374.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129466116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).