2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid

C15H21NO3 — CID 11108172

IUPAC2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H21NO3/c17-15(18)12-13-6-1-2-7-14(13)19-11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-12H2,(H,17,18)
InChIKeyCPQXZUSKVOJXOE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid

2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid (PubChem CID 11108172) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
PubChem CID11108172
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H21NO3/c17-15(18)12-13-6-1-2-7-14(13)19-11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-12H2,(H,17,18)
InChIKeyCPQXZUSKVOJXOE-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
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

1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
2-[2-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]phenyl]acetic acid
CID 54464897
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
CID 20719073
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
4-iodo-3-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 114103663
1-[3-(2-benzylphenoxy)propyl]-4-ethylpiperazine;oxalic acid
CID 2961060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid (CID 11108172) is 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid is O=C(O)Cc1ccccc1OCCCN1CCCC1.
What is the InChIKey of 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid?
The InChIKey is CPQXZUSKVOJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)12-13-6-1-2-7-14(13)19-11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-12H2,(H,17,18).
What are the key properties of 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid?
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid is sourced from PubChem (CID 11108172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).