2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid

C14H21NO3 — CID 65240642

IUPAC2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(Cc1ccoc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H21NO3/c1-15(10-12-5-8-18-11-12)14(9-13(16)17)6-3-2-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17)
InChIKeySMFXLASAVZFPEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65240642) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65240642
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(Cc1ccoc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H21NO3/c1-15(10-12-5-8-18-11-12)14(9-13(16)17)6-3-2-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17)
InChIKeySMFXLASAVZFPEP-UHFFFAOYSA-N
XLogP2.89
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid (CID 65240642) is 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid is CN(Cc1ccoc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is SMFXLASAVZFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(10-12-5-8-18-11-12)14(9-13(16)17)6-3-2-4-7-14/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).