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

C13H17NO4 — CID 120540079

IUPAC1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccoc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17NO4/c1-14(11(15)10-5-8-18-9-10)13(12(16)17)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyKAXYUJRJDBRFTG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.14
Rot. Bonds3

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

1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120540079) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120540079
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccoc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17NO4/c1-14(11(15)10-5-8-18-9-10)13(12(16)17)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,16,17)
InChIKeyKAXYUJRJDBRFTG-UHFFFAOYSA-N
XLogP2.14
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539698
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235
1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539358
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
1-[1-benzofuran-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539512
furan-3-yl-(1-methylcyclohexyl)methanone
CID 106829578
1-[methyl-(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 120539896

Frequently Asked Questions

What is the IUPAC name of 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 120540079) is 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1ccoc1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KAXYUJRJDBRFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(11(15)10-5-8-18-9-10)13(12(16)17)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,16,17).
What are the key properties of 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).