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

C10H11BrN2O3 — CID 120519712

IUPAC2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccncc1Br
InChIInChI=1S/C10H11BrN2O3/c1-2-13(6-9(14)15)10(16)7-3-4-12-5-8(7)11/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyKCEFKDDQUJHJQI-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.39
Rot. Bonds4

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

2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid (PubChem CID 120519712) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
PubChem CID120519712
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccncc1Br
InChIInChI=1S/C10H11BrN2O3/c1-2-13(6-9(14)15)10(16)7-3-4-12-5-8(7)11/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyKCEFKDDQUJHJQI-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-ethylamino]acetic acid
CID 119206292
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid (CID 120519712) is 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid?
The InChIKey is KCEFKDDQUJHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-13(6-9(14)15)10(16)7-3-4-12-5-8(7)11/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid?
2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 120519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).