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

C14H17BrN2O4 — CID 61011077

IUPAC2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-12(18)16(8-10)9-13(19)17-6-2-1-3-11(17)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21)
InChIKeyRRSDKGYJFCWRIK-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.47
Rot. Bonds4

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

2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 61011077) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid
PubChem CID61011077
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H17BrN2O4/c15-10-4-5-12(18)16(8-10)9-13(19)17-6-2-1-3-11(17)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21)
InChIKeyRRSDKGYJFCWRIK-UHFFFAOYSA-N
XLogP1.47
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 43356091
7-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoic acid
CID 43359018
2-[1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010108
2-[1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61369881
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 64560308
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64814157
(2S)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 66264539
(2R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 79034576
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]hexanoic acid
CID 81973871
2-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-2-yl]acetic acid
CID 82896577
3-[1-[2-(2-Oxo-1-pyridinyl)ethyl]piperidin-2-yl]propanoic acid
CID 82897262
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104594628

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid (CID 61011077) is 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is RRSDKGYJFCWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-4-5-12(18)16(8-10)9-13(19)17-6-2-1-3-11(17)7-14(20)21/h4-5,8,11H,1-3,6-7,9H2,(H,20,21).
What are the key properties of 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 357.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).