1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

C15H20N2O3 — CID 122109509

IUPAC1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CNC(=O)CC2(C(=O)O)CCC2)cc(C)n1
InChIInChI=1S/C15H20N2O3/c1-10-6-12(7-11(2)17-10)9-16-13(18)8-15(14(19)20)4-3-5-15/h6-7H,3-5,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNLSGRFDDBWQPFF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 122109509) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID122109509
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(CNC(=O)CC2(C(=O)O)CCC2)cc(C)n1
InChIInChI=1S/C15H20N2O3/c1-10-6-12(7-11(2)17-10)9-16-13(18)8-15(14(19)20)4-3-5-15/h6-7H,3-5,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNLSGRFDDBWQPFF-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
1-[2-oxo-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549546
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103882141
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63377776
1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 61060372
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 122109509) is 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is Cc1cc(CNC(=O)CC2(C(=O)O)CCC2)cc(C)n1.
What is the InChIKey of 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is NLSGRFDDBWQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-12(7-11(2)17-10)9-16-13(18)8-15(14(19)20)4-3-5-15/h6-7H,3-5,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122109509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).