methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate

C16H22N2O3 — CID 107148643

IUPACmethyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ncccc1C)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-6-5-9-17-14(12)10-15(19)18(11-16(20)21-2)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJTUFMGWGYZKCLG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds5

About methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate

methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate (PubChem CID 107148643) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
PubChem CID107148643
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ncccc1C)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12-6-5-9-17-14(12)10-15(19)18(11-16(20)21-2)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJTUFMGWGYZKCLG-UHFFFAOYSA-N
XLogP1.88
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148478
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
N-[2-(aminomethyl)cyclopentyl]-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148477
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148379
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate (CID 107148643) is methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate is COC(=O)CN(C(=O)Cc1ncccc1C)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate?
The InChIKey is JTUFMGWGYZKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-6-5-9-17-14(12)10-15(19)18(11-16(20)21-2)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate?
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate is sourced from PubChem (CID 107148643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).