5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid

C13H19NO3 — CID 103237753

IUPAC5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
SMILESCC(NCC1CCCC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-9(14-8-10-4-2-3-5-10)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyGRQQRBDZBIOAKH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.82
Rot. Bonds5

About 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid

5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103237753) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
PubChem CID103237753
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
SMILESCC(NCC1CCCC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-9(14-8-10-4-2-3-5-10)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyGRQQRBDZBIOAKH-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid (CID 103237753) is 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid is CC(NCC1CCCC1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is GRQQRBDZBIOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(14-8-10-4-2-3-5-10)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid?
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103237753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).