3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid

C15H21NO3 — CID 71401256

IUPAC3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid
SMILESCOc1cccc(C2(CCC(=O)O)CCN(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-16-9-8-15(11-16,7-6-14(17)18)12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3,(H,17,18)
InChIKeyVZOSHMMPFXBOFI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds5

About 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid

3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid (PubChem CID 71401256) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid
PubChem CID71401256
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid
SMILESCOc1cccc(C2(CCC(=O)O)CCN(C)C2)c1
InChIInChI=1S/C15H21NO3/c1-16-9-8-15(11-16,7-6-14(17)18)12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3,(H,17,18)
InChIKeyVZOSHMMPFXBOFI-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
CID 129404218
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
(2S)-2-ethyl-2-(3-methoxyphenyl)-4-methyl-1,4-thiazinane 1-oxide;hydrochloride
CID 70508703
3-[[(3R)-3-[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonyloxybutanoyl]amino]propanoic acid
CID 89023249
4-[[[1-(3-methoxyphenyl)cyclopropyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014637
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(5S)-7-[(3S)-3-(3,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]-2,5-dimethylheptan-3-one
CID 166491672

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid (CID 71401256) is 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid is COc1cccc(C2(CCC(=O)O)CCN(C)C2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid?
The InChIKey is VZOSHMMPFXBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-9-8-15(11-16,7-6-14(17)18)12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid?
3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 71401256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).