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

C14H17BrN2O4 — CID 64672971

IUPAC2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cc(Br)ccc2=O)CCCC1
InChIInChI=1S/C14H17BrN2O4/c15-10-3-4-12(19)17(8-10)9-11(18)16-14(7-13(20)21)5-1-2-6-14/h3-4,8H,1-2,5-7,9H2,(H,16,18)(H,20,21)
InChIKeyIXPAUUIQWSJYOA-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.51
Rot. Bonds5

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

2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid (PubChem CID 64672971) 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]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid
PubChem CID64672971
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cn2cc(Br)ccc2=O)CCCC1
InChIInChI=1S/C14H17BrN2O4/c15-10-3-4-12(19)17(8-10)9-11(18)16-14(7-13(20)21)5-1-2-6-14/h3-4,8H,1-2,5-7,9H2,(H,16,18)(H,20,21)
InChIKeyIXPAUUIQWSJYOA-UHFFFAOYSA-N
XLogP1.51
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.51
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
1-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351362
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351363
7-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]heptanoic acid
CID 43359018
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-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclopentyl]acetic acid
CID 64671816
2-[1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentyl]acetic acid
CID 64672195
2-[1-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64673373
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64814157
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814316
2-[[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897816

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid (CID 64672971) is 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Cn2cc(Br)ccc2=O)CCCC1.
What is the InChIKey of 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid?
The InChIKey is IXPAUUIQWSJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-10-3-4-12(19)17(8-10)9-11(18)16-14(7-13(20)21)5-1-2-6-14/h3-4,8H,1-2,5-7,9H2,(H,16,18)(H,20,21).
What are the key properties of 2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentyl]acetic acid has a molecular weight of 357.20 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 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]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).