1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 107147298

IUPAC1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cccnc1CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-8-16-12(11)9-13(18)17-10-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLKTXLOQCDXAZBM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.69
Rot. Bonds5

About 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107147298) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107147298
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1cccnc1CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-8-16-12(11)9-13(18)17-10-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLKTXLOQCDXAZBM-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148227
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 112650921
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
1-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544916
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-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 107147298) is 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is Cc1cccnc1CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LKTXLOQCDXAZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-4-8-16-12(11)9-13(18)17-10-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107147298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).