2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid

C13H17NO4 — CID 83214512

IUPAC2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccco1
InChIInChI=1S/C13H17NO4/c1-13(12(16)17)7-3-2-6-10(13)14-11(15)9-5-4-8-18-9/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKGCYDUUNCYWRO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.04
Rot. Bonds3

About 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid

2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214512) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214512
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccco1
InChIInChI=1S/C13H17NO4/c1-13(12(16)17)7-3-2-6-10(13)14-11(15)9-5-4-8-18-9/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyCKGCYDUUNCYWRO-UHFFFAOYSA-N
XLogP2.04
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214662
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213821
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
2-[(3-bromo-2-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211032
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
N-cyclooctylfuran-2-carboxamide
CID 790432
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760450
2-[(2-bromo-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83212180

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid (CID 83214512) is 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is CKGCYDUUNCYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(12(16)17)7-3-2-6-10(13)14-11(15)9-5-4-8-18-9/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid?
2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).