5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid

C15H21NO4 — CID 107175730

IUPAC5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H21NO4/c1-15(2)8-4-3-5-11(15)13(17)16-9-10-6-7-12(20-10)14(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZLKXEFFGKQGODE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds4

About 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 107175730) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID107175730
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H21NO4/c1-15(2)8-4-3-5-11(15)13(17)16-9-10-6-7-12(20-10)14(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZLKXEFFGKQGODE-UHFFFAOYSA-N
XLogP2.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
5-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104517743
(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518
N-[[4-(chloromethyl)phenyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107233411
5-[[[(2R)-piperidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 104914288
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104916891
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129467906
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid (CID 107175730) is 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid is CC1(C)CCCCC1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is ZLKXEFFGKQGODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)8-4-3-5-11(15)13(17)16-9-10-6-7-12(20-10)14(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 107175730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).