5-pyrrol-1-yloxypentanoic acid

C9H13NO3 — CID 69470747

IUPAC5-pyrrol-1-yloxypentanoic acid
SMILESO=C(O)CCCCOn1cccc1
InChIInChI=1S/C9H13NO3/c11-9(12)5-1-4-8-13-10-6-2-3-7-10/h2-3,6-7H,1,4-5,8H2,(H,11,12)
InChIKeyWKPNYLXQKGZNPN-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.17
Rot. Bonds6

About 5-pyrrol-1-yloxypentanoic acid

5-pyrrol-1-yloxypentanoic acid (PubChem CID 69470747) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-pyrrol-1-yloxypentanoic acid.

Molecular Properties

Compound Name5-pyrrol-1-yloxypentanoic acid
PubChem CID69470747
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-pyrrol-1-yloxypentanoic acid
SMILESO=C(O)CCCCOn1cccc1
InChIInChI=1S/C9H13NO3/c11-9(12)5-1-4-8-13-10-6-2-3-7-10/h2-3,6-7H,1,4-5,8H2,(H,11,12)
InChIKeyWKPNYLXQKGZNPN-UHFFFAOYSA-N
XLogP1.17
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-imidazol-1-yloxypentanoic acid
CID 3613715
4-imidazol-1-yloxybutanoic acid
CID 175506459
8-hydroperoxyoctanoic acid
CID 91550474
5-aminooxypentanoic acid
CID 14989418
8-(3-carboxypropoxy)octanoic acid
CID 154155651
9-phenoxynonanoic acid
CID 15887638
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449

Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yloxypentanoic acid?
The IUPAC name of 5-pyrrol-1-yloxypentanoic acid (CID 69470747) is 5-pyrrol-1-yloxypentanoic acid.
What is the SMILES notation for 5-pyrrol-1-yloxypentanoic acid?
The canonical SMILES for 5-pyrrol-1-yloxypentanoic acid is O=C(O)CCCCOn1cccc1.
What is the InChIKey of 5-pyrrol-1-yloxypentanoic acid?
The InChIKey is WKPNYLXQKGZNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-9(12)5-1-4-8-13-10-6-2-3-7-10/h2-3,6-7H,1,4-5,8H2,(H,11,12).
What are the key properties of 5-pyrrol-1-yloxypentanoic acid?
5-pyrrol-1-yloxypentanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yloxypentanoic acid is sourced from PubChem (CID 69470747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).