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

C13H15BrN2O4 — CID 43351362

IUPAC1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H15BrN2O4/c14-9-3-4-11(18)16(7-9)8-10(17)15-13(12(19)20)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,15,17)(H,19,20)
InChIKeyPORIHLLGDCBDML-UHFFFAOYSA-N
MW343.18 g/mol
LogP1.12
Rot. Bonds4

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

1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351362) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351362
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H15BrN2O4/c14-9-3-4-11(18)16(7-9)8-10(17)15-13(12(19)20)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,15,17)(H,19,20)
InChIKeyPORIHLLGDCBDML-UHFFFAOYSA-N
XLogP1.12
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43351362) is 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PORIHLLGDCBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-9-3-4-11(18)16(7-9)8-10(17)15-13(12(19)20)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,15,17)(H,19,20).
What are the key properties of 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).