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

C16H22N2O3 — CID 114698483

IUPAC2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cnccc1CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-10-17-7-4-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLMYSFEYFAFXNKU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.43
Rot. Bonds6

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

2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 114698483) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID114698483
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cnccc1CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-10-17-7-4-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLMYSFEYFAFXNKU-UHFFFAOYSA-N
XLogP2.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114954620
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433
2,2-dimethyl-4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 114700737
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 114698483) is 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1cnccc1CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is LMYSFEYFAFXNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-10-17-7-4-13(12)11-18-14(19)8-16(9-15(20)21)5-2-3-6-16/h4,7,10H,2-3,5-6,8-9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.43, 6 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)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 114698483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).