4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H17NO4 — CID 114818826

IUPAC4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)co1
InChIInChI=1S/C13H17NO4/c1-8-6-10(7-18-8)12(15)14-11-4-2-9(3-5-11)13(16)17/h6-7,9,11H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSVWVGMYTCBNDZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.96
Rot. Bonds3

About 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114818826) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114818826
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCC(C(=O)O)CC2)co1
InChIInChI=1S/C13H17NO4/c1-8-6-10(7-18-8)12(15)14-11-4-2-9(3-5-11)13(16)17/h6-7,9,11H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSVWVGMYTCBNDZ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-methylfuran-3-carboxamide
CID 114821678
5-methyl-N-(3-methylcyclopentyl)furan-3-carboxamide
CID 114821709
8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029363
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-[(5-methylthiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 166270100
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
4-[(4,5-dimethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921009
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 114818826) is 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2CCC(C(=O)O)CC2)co1.
What is the InChIKey of 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is USVWVGMYTCBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-6-10(7-18-8)12(15)14-11-4-2-9(3-5-11)13(16)17/h6-7,9,11H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114818826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).