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

C14H17BrN2O4 — CID 64814157

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H17BrN2O4/c15-9-5-6-13(19)17(7-9)8-12(18)16-11-4-2-1-3-10(11)14(20)21/h5-7,10-11H,1-4,8H2,(H,16,18)(H,20,21)
InChIKeyJGIKZUAWYLGIPH-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.37
Rot. Bonds4

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64814157) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64814157
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H17BrN2O4/c15-9-5-6-13(19)17(7-9)8-12(18)16-11-4-2-1-3-10(11)14(20)21/h5-7,10-11H,1-4,8H2,(H,16,18)(H,20,21)
InChIKeyJGIKZUAWYLGIPH-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43132366
7-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoic acid
CID 43359018
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810003
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid
CID 61011077
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]cyclohexane-1-carboxylic acid
CID 64812920
2-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64813126
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814316
2-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814577
2-[[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 65219779

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64814157) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JGIKZUAWYLGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-9-5-6-13(19)17(7-9)8-12(18)16-11-4-2-1-3-10(11)14(20)21/h5-7,10-11H,1-4,8H2,(H,16,18)(H,20,21).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 1.37, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).