4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid

C14H21NO4 — CID 106137095

IUPAC4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C14H21NO4/c1-9-11(6-13(19-9)14(17)18)8-15-7-10-2-4-12(16)5-3-10/h6,10,12,15-16H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyFGAFNLFMPPOJPZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.93
Rot. Bonds5

About 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid

4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 106137095) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID106137095
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C14H21NO4/c1-9-11(6-13(19-9)14(17)18)8-15-7-10-2-4-12(16)5-3-10/h6,10,12,15-16H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyFGAFNLFMPPOJPZ-UHFFFAOYSA-N
XLogP1.93
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240565
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
4-[(2-ethoxyethylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103230112
5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
5-methyl-4-[(2-propan-2-yloxyethylamino)methyl]furan-2-carboxylic acid
CID 103266503
4-[(6-hydroxyhexylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 107853711
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
CID 103260997
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 114156102
4-[[(3,4-difluorophenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103244446

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid (CID 106137095) is 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is FGAFNLFMPPOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-11(6-13(19-9)14(17)18)8-15-7-10-2-4-12(16)5-3-10/h6,10,12,15-16H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 106137095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).