2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid

C10H12BrN3O3 — CID 107440806

IUPAC2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O3/c11-7-1-2-8(13-3-7)4-14(5-9(12)15)6-10(16)17/h1-3H,4-6H2,(H2,12,15)(H,16,17)
InChIKeyHEHVEDWPUNKQPI-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.22
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid (PubChem CID 107440806) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
PubChem CID107440806
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3O3/c11-7-1-2-8(13-3-7)4-14(5-9(12)15)6-10(16)17/h1-3H,4-6H2,(H2,12,15)(H,16,17)
InChIKeyHEHVEDWPUNKQPI-UHFFFAOYSA-N
XLogP0.22
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 107440499
2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
CID 102443187
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
(5-bromo-2-pyridinyl)methylphosphonic acid
CID 53363175
2-[(2-amino-2-oxoethyl)-[(5-chloro-1-methylimidazol-2-yl)methyl]amino]acetic acid
CID 107440376
N'-[(5-bromo-2-pyridinyl)methyl]-N'-butylethane-1,2-diamine
CID 104798124
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid (CID 107440806) is 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid?
The InChIKey is HEHVEDWPUNKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-7-1-2-8(13-3-7)4-14(5-9(12)15)6-10(16)17/h1-3H,4-6H2,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid has a molecular weight of 302.13 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(5-bromo-2-pyridinyl)methyl]amino]acetic acid is sourced from PubChem (CID 107440806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).