5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid

C12H17NO3 — CID 62204413

IUPAC5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
SMILESCC1CCCCC1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-8-4-2-3-5-9(8)13-11-7-6-10(16-11)12(14)15/h6-9,13H,2-5H2,1H3,(H,14,15)
InChIKeyUGPONAIPHZMHHM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.97
Rot. Bonds3

About 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid

5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid (PubChem CID 62204413) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
PubChem CID62204413
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
SMILESCC1CCCCC1Nc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-8-4-2-3-5-9(8)13-11-7-6-10(16-11)12(14)15/h6-9,13H,2-5H2,1H3,(H,14,15)
InChIKeyUGPONAIPHZMHHM-UHFFFAOYSA-N
XLogP2.97
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
CID 79351175
5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725
2-[(2-methylcyclopentyl)amino]-1,3-benzoxazole-6-carboxylic acid
CID 116691276
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
CID 64669427
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
2-amino-3-[(2-methylcyclohexyl)amino]benzoic acid
CID 113332467
4-bromo-2-[(2-methylcycloheptyl)amino]benzoic acid
CID 114907423
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid (CID 62204413) is 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid is CC1CCCCC1Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid?
The InChIKey is UGPONAIPHZMHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-4-2-3-5-9(8)13-11-7-6-10(16-11)12(14)15/h6-9,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid?
5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62204413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).