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

C15H20N2O4 — CID 81367128

IUPAC1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O4/c18-12(6-10-17-9-4-1-5-13(17)19)16-11-15(14(20)21)7-2-3-8-15/h1,4-5,9H,2-3,6-8,10-11H2,(H,16,18)(H,20,21)
InChIKeyFXQYXPOPYRKRHT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.00
Rot. Bonds6

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

1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81367128) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81367128
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O4/c18-12(6-10-17-9-4-1-5-13(17)19)16-11-15(14(20)21)7-2-3-8-15/h1,4-5,9H,2-3,6-8,10-11H2,(H,16,18)(H,20,21)
InChIKeyFXQYXPOPYRKRHT-UHFFFAOYSA-N
XLogP1.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 111445552
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
1-[(3-phenylsulfanylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544551
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367142
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 110908908
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
1-[[(2-phenylsulfanylacetyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362768
1-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543615

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid (CID 81367128) is 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(CCn1ccccc1=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FXQYXPOPYRKRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12(6-10-17-9-4-1-5-13(17)19)16-11-15(14(20)21)7-2-3-8-15/h1,4-5,9H,2-3,6-8,10-11H2,(H,16,18)(H,20,21).
What are the key properties of 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81367128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).