2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 64812674

IUPAC2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c17-12(7-9-16-8-2-1-6-13(16)18)15-11-5-3-4-10(11)14(19)20/h1-2,6,8,10-11H,3-5,7,9H2,(H,15,17)(H,19,20)
InChIKeyOZHNCFDJVATLCN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds5

About 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64812674) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID64812674
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCCC1C(=O)O
InChIInChI=1S/C14H18N2O4/c17-12(7-9-16-8-2-1-6-13(16)18)15-11-5-3-4-10(11)14(19)20/h1-2,6,8,10-11H,3-5,7,9H2,(H,15,17)(H,19,20)
InChIKeyOZHNCFDJVATLCN-UHFFFAOYSA-N
XLogP0.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 69475721
6-[3-(2-Oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150885
6-[3-(3-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150888
6-[[2,2-Dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
CID 39150932
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351363
2-[1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372229
3-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216446
3-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 63044196
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl]heptanoic acid
CID 64342041
5-methyl-4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]ethyl]hexanoic acid
CID 64345141
4-Ethyl-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 64349211
4-ethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 64350599

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 64812674) is 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is OZHNCFDJVATLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(7-9-16-8-2-1-6-13(16)18)15-11-5-3-4-10(11)14(19)20/h1-2,6,8,10-11H,3-5,7,9H2,(H,15,17)(H,19,20).
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).