4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid

C12H13BrN2O4 — CID 114890055

IUPAC4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
SMILESNC(=O)c1cc(Br)ccc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H13BrN2O4/c13-7-1-2-9(8(5-7)11(14)16)15-3-4-19-10(6-15)12(17)18/h1-2,5,10H,3-4,6H2,(H2,14,16)(H,17,18)
InChIKeyOAZQXRUJIQCXQF-UHFFFAOYSA-N
MW329.15 g/mol
LogP0.84
Rot. Bonds3

About 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid

4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid (PubChem CID 114890055) has the molecular formula C12H13BrN2O4 and a molecular weight of 329.15 g/mol. Its IUPAC name is 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
PubChem CID114890055
Molecular FormulaC12H13BrN2O4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
SMILESNC(=O)c1cc(Br)ccc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H13BrN2O4/c13-7-1-2-9(8(5-7)11(14)16)15-3-4-19-10(6-15)12(17)18/h1-2,5,10H,3-4,6H2,(H2,14,16)(H,17,18)
InChIKeyOAZQXRUJIQCXQF-UHFFFAOYSA-N
XLogP0.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
2-[3-(aminomethyl)piperidin-1-yl]-5-bromobenzamide
CID 114893915
5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 114893891
5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114895877
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337
2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
CID 66433243
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbothioamide
CID 79674231
2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-5-bromobenzamide
CID 114895122
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromobenzoic acid
CID 114895895
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-5-bromobenzamide
CID 114893895

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid (CID 114890055) is 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid is NC(=O)c1cc(Br)ccc1N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid?
The InChIKey is OAZQXRUJIQCXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4/c13-7-1-2-9(8(5-7)11(14)16)15-3-4-19-10(6-15)12(17)18/h1-2,5,10H,3-4,6H2,(H2,14,16)(H,17,18).
What are the key properties of 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid?
4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid has a molecular weight of 329.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 114890055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).