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

C13H15BrN2O4 — CID 64814316

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H15BrN2O4/c14-8-4-5-12(18)16(6-8)7-11(17)15-10-3-1-2-9(10)13(19)20/h4-6,9-10H,1-3,7H2,(H,15,17)(H,19,20)
InChIKeyXHFROCDUZDPERO-UHFFFAOYSA-N
MW343.18 g/mol
LogP0.98
Rot. Bonds4

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64814316) has the molecular formula C13H15BrN2O4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64814316
Molecular FormulaC13H15BrN2O4
Molecular Weight343.18 g/mol
Exact Mass342.02
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H15BrN2O4/c14-8-4-5-12(18)16(6-8)7-11(17)15-10-3-1-2-9(10)13(19)20/h4-6,9-10H,1-3,7H2,(H,15,17)(H,19,20)
InChIKeyXHFROCDUZDPERO-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
CID 43245242
1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351362
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043832
6-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylhexanoic acid
CID 64366930
2-[1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid
CID 64672971
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812055
2-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812674
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64814157
2-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814321
2-[[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 65219779
2-[[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897816
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030349

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64814316) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XHFROCDUZDPERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O4/c14-8-4-5-12(18)16(6-8)7-11(17)15-10-3-1-2-9(10)13(19)20/h4-6,9-10H,1-3,7H2,(H,15,17)(H,19,20).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).