2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H20N2O3 — CID 63671201

IUPAC2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cnccc1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-10-16-7-4-12(11)17-13(18)8-15(9-14(19)20)5-2-3-6-15/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyISKFOFXPKZEXCV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 63671201) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID63671201
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cnccc1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-10-16-7-4-12(11)17-13(18)8-15(9-14(19)20)5-2-3-6-15/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyISKFOFXPKZEXCV-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

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Related Compounds

1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114698483
2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114954620
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 142640688
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
2-[1-[2-(4-carbamoyl-3-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 119115370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 63671201) is 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1cnccc1NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ISKFOFXPKZEXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-10-16-7-4-12(11)17-13(18)8-15(9-14(19)20)5-2-3-6-15/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 63671201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).