2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid

C14H25NO3 — CID 65019470

IUPAC2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeySLUGSPVDIHRHKW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds3

About 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid

2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 65019470) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID65019470
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeySLUGSPVDIHRHKW-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
CID 70634173
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
4-[tert-butyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165540
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
1-cyclopentyl-2-(dimethylamino)-2-methylpropan-1-one
CID 79047492

Frequently Asked Questions

What is the IUPAC name of 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid (CID 65019470) is 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)C1CCCCCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is SLUGSPVDIHRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid?
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65019470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).