2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19NO4 — CID 120545136

IUPAC2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1occc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-10(6-8-19-9)12(16)15-14(2)7-4-3-5-11(14)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySUGFVFYYRQPDKZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120545136) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120545136
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1occc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-10(6-8-19-9)12(16)15-14(2)7-4-3-5-11(14)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySUGFVFYYRQPDKZ-UHFFFAOYSA-N
XLogP2.35
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120546388
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-[(2-iodo-4,5-dimethoxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 146091132
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546523
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120545136) is 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1occc1C(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SUGFVFYYRQPDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-10(6-8-19-9)12(16)15-14(2)7-4-3-5-11(14)13(17)18/h6,8,11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).