1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

C15H21NO3 — CID 65056448

IUPAC1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCC1CC1c1ccc(CN2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H21NO3/c1-10-8-13(10)14-3-2-12(19-14)9-16-6-4-11(5-7-16)15(17)18/h2-3,10-11,13H,4-9H2,1H3,(H,17,18)
InChIKeyDWYDAWIHIHTHSY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds4

About 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 65056448) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID65056448
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCC1CC1c1ccc(CN2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H21NO3/c1-10-8-13(10)14-3-2-12(19-14)9-16-6-4-11(5-7-16)15(17)18/h2-3,10-11,13H,4-9H2,1H3,(H,17,18)
InChIKeyDWYDAWIHIHTHSY-UHFFFAOYSA-N
XLogP2.70
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid (CID 65056448) is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is CC1CC1c1ccc(CN2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DWYDAWIHIHTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-13(10)14-3-2-12(19-14)9-16-6-4-11(5-7-16)15(17)18/h2-3,10-11,13H,4-9H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65056448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).