4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid

C17H19NO3 — CID 17056042

IUPAC4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO3/c19-17(20)13-7-5-12(6-8-13)16-10-9-15(21-16)11-18-14-3-1-2-4-14/h5-10,14,18H,1-4,11H2,(H,19,20)
InChIKeyUZBIPVDTLRIWAK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.68
Rot. Bonds5

About 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid

4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid (PubChem CID 17056042) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid
PubChem CID17056042
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO3/c19-17(20)13-7-5-12(6-8-13)16-10-9-15(21-16)11-18-14-3-1-2-4-14/h5-10,14,18H,1-4,11H2,(H,19,20)
InChIKeyUZBIPVDTLRIWAK-UHFFFAOYSA-N
XLogP3.68
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid (CID 17056042) is 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid is O=C(O)c1ccc(-c2ccc(CNC3CCCC3)o2)cc1.
What is the InChIKey of 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid?
The InChIKey is UZBIPVDTLRIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)13-7-5-12(6-8-13)16-10-9-15(21-16)11-18-14-3-1-2-4-14/h5-10,14,18H,1-4,11H2,(H,19,20).
What are the key properties of 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid?
4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(cyclopentylamino)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 17056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).