2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid

C16H25NO3 — CID 65240981

IUPAC2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid
SMILESCCC(c1ccco1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-13(14-8-7-11-20-14)17(2)16(12-15(18)19)9-5-4-6-10-16/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeySUNNLYGRSHJIND-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.84
Rot. Bonds6

About 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid

2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid (PubChem CID 65240981) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid
PubChem CID65240981
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid
SMILESCCC(c1ccco1)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-13(14-8-7-11-20-14)17(2)16(12-15(18)19)9-5-4-6-10-16/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeySUNNLYGRSHJIND-UHFFFAOYSA-N
XLogP3.84
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid (CID 65240981) is 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid is CCC(c1ccco1)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is SUNNLYGRSHJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-13(14-8-7-11-20-14)17(2)16(12-15(18)19)9-5-4-6-10-16/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid?
2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).