1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

C15H19NO3 — CID 113352844

IUPAC1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C)c1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO3/c1-10-5-3-6-11(2)12(10)13(17)16-9-15(14(18)19)7-4-8-15/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKIEAMJHBFVGSOS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds4

About 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113352844) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113352844
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCc1cccc(C)c1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C15H19NO3/c1-10-5-3-6-11(2)12(10)13(17)16-9-15(14(18)19)7-4-8-15/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKIEAMJHBFVGSOS-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
1-[[(2-methyl-3-nitrobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369460
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107147298

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 113352844) is 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is Cc1cccc(C)c1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KIEAMJHBFVGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-3-6-11(2)12(10)13(17)16-9-15(14(18)19)7-4-8-15/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113352844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).