2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

C11H13BrN2O4 — CID 120516189

IUPAC2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccncc1Br
InChIInChI=1S/C11H13BrN2O4/c1-18-5-4-14(7-10(15)16)11(17)8-2-3-13-6-9(8)12/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyPTVMCMYNMXWHGZ-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.02
Rot. Bonds6

About 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 120516189) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID120516189
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccncc1Br
InChIInChI=1S/C11H13BrN2O4/c1-18-5-4-14(7-10(15)16)11(17)8-2-3-13-6-9(8)12/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyPTVMCMYNMXWHGZ-UHFFFAOYSA-N
XLogP1.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
CID 120519712
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 114701353
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 120516189) is 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is PTVMCMYNMXWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-18-5-4-14(7-10(15)16)11(17)8-2-3-13-6-9(8)12/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 317.14 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 120516189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).