2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid

C11H12BrN3O5 — CID 43465461

IUPAC2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrN3O5/c12-7-1-2-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h1-2,5H,3-4,6H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyMPZQHNUTSOHJQI-UHFFFAOYSA-N
MW346.14 g/mol
LogP-1.07
Rot. Bonds6

About 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465461) has the molecular formula C11H12BrN3O5 and a molecular weight of 346.14 g/mol. Its IUPAC name is 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465461
Molecular FormulaC11H12BrN3O5
Molecular Weight346.14 g/mol
Exact Mass345.00
IUPAC Name2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrN3O5/c12-7-1-2-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h1-2,5H,3-4,6H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyMPZQHNUTSOHJQI-UHFFFAOYSA-N
XLogP-1.07
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265277
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788578
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4,4,4-trifluorobutanoic acid
CID 121642741
2-(3-Acetamido-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 11820421
2-[3-(Methylamino)-2-oxo-1-pyridinyl]acetic acid
CID 18718030
2-(5-bromo-2-oxopyridin-1-yl)-N-ethylacetamide
CID 26217352
2-(5-bromo-2-oxopyridin-1(2H)-yl)-N-methylacetamide
CID 32890706
2-(5-Bromo-2-oxo-1-pyridinyl)ethylcarbamic acid
CID 69233778
2-[[2-[2-(2-Methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 89111897
2-(3-Acetamido-2-oxo-1-pyridinyl)acetic acid;ethane
CID 144076070
2-(5-bromo-2-oxo-1-pyridinyl)-N-methylacetamide;methyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
CID 158269528
2-(5-bromo-2-oxo-1-pyridinyl)-N-propylacetamide
CID 26217357

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid (CID 43465461) is 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is MPZQHNUTSOHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O5/c12-7-1-2-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h1-2,5H,3-4,6H2,(H,13,17)(H,14,16)(H,19,20).
What are the key properties of 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 346.14 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).