5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid

C13H19NO4 — CID 65107448

IUPAC5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2(O)CCCCC2)o1
InChIInChI=1S/C13H19NO4/c15-12(16)11-5-4-10(18-11)8-14-9-13(17)6-2-1-3-7-13/h4-5,14,17H,1-3,6-9H2,(H,15,16)
InChIKeyRACDIUSZORZFDO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.76
Rot. Bonds5

About 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid

5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid (PubChem CID 65107448) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid
PubChem CID65107448
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2(O)CCCCC2)o1
InChIInChI=1S/C13H19NO4/c15-12(16)11-5-4-10(18-11)8-14-9-13(17)6-2-1-3-7-13/h4-5,14,17H,1-3,6-9H2,(H,15,16)
InChIKeyRACDIUSZORZFDO-UHFFFAOYSA-N
XLogP1.76
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 62867945
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid (CID 65107448) is 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNCC2(O)CCCCC2)o1.
What is the InChIKey of 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is RACDIUSZORZFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-12(16)11-5-4-10(18-11)8-14-9-13(17)6-2-1-3-7-13/h4-5,14,17H,1-3,6-9H2,(H,15,16).
What are the key properties of 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid?
5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 65107448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).