2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid

C20H22FNO3 — CID 51347255

IUPAC2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccc(F)c(COc2ccc(N3CCCC3CC(=O)O)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-14-4-9-19(21)15(11-14)13-25-18-7-5-16(6-8-18)22-10-2-3-17(22)12-20(23)24/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,24)
InChIKeyBOMKPJPGKPKMER-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.16
Rot. Bonds6

About 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid (PubChem CID 51347255) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
PubChem CID51347255
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccc(F)c(COc2ccc(N3CCCC3CC(=O)O)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-14-4-9-19(21)15(11-14)13-25-18-7-5-16(6-8-18)22-10-2-3-17(22)12-20(23)24/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,24)
InChIKeyBOMKPJPGKPKMER-UHFFFAOYSA-N
XLogP4.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-[4-[3-(2-fluoro-5-methylphenyl)phenoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218614
2-[(2S)-1-[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 67085416
2-[(2S)-1-[4-[[3-(2-fluorophenoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218656
2-[1-[4-[[2-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347705
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348447
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
2-[1-[4-[[4-chloro-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348739
2-[1-[4-[(3,4-difluorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348011
1-[1-[4-[[3-[(2-fluorophenyl)methyl]phenyl]methoxy]phenyl]pyrrolidin-2-yl]propan-2-one
CID 58218553
2-[(2S)-1-[4-(3-bromophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218624
methyl 2-[(2S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-3-methylphenyl]methoxy]phenyl]pyrrolidin-2-yl]acetate
CID 90214617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid (CID 51347255) is 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid is Cc1ccc(F)c(COc2ccc(N3CCCC3CC(=O)O)cc2)c1.
What is the InChIKey of 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BOMKPJPGKPKMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14-4-9-19(21)15(11-14)13-25-18-7-5-16(6-8-18)22-10-2-3-17(22)12-20(23)24/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,23,24).
What are the key properties of 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 343.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 51347255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).