2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid

C19H19NO3 — CID 74892517

IUPAC2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H19NO3/c21-18(22)12-14-5-3-6-15(11-14)16-7-4-8-17(13-16)19(23)20-9-1-2-10-20/h3-8,11,13H,1-2,9-10,12H2,(H,21,22)
InChIKeySGJAIVPQDHGHHV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds4

About 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid

2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid (PubChem CID 74892517) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
PubChem CID74892517
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H19NO3/c21-18(22)12-14-5-3-6-15(11-14)16-7-4-8-17(13-16)19(23)20-9-1-2-10-20/h3-8,11,13H,1-2,9-10,12H2,(H,21,22)
InChIKeySGJAIVPQDHGHHV-UHFFFAOYSA-N
XLogP3.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
CID 75488391
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-[4-nitro-3-(2-phenylethyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 146772852
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
CID 143483937
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid (CID 74892517) is 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid?
The InChIKey is SGJAIVPQDHGHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(22)12-14-5-3-6-15(11-14)16-7-4-8-17(13-16)19(23)20-9-1-2-10-20/h3-8,11,13H,1-2,9-10,12H2,(H,21,22).
What are the key properties of 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid?
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 74892517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).