3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid

C14H19NO2 — CID 117002587

IUPAC3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
SMILESCc1ccccc1N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)15-9-8-12(10-15)6-7-14(16)17/h2-5,12H,6-10H2,1H3,(H,16,17)
InChIKeyCXGFZRMOJLXVBD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.69
Rot. Bonds4

About 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid

3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 117002587) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
PubChem CID117002587
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
SMILESCc1ccccc1N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)15-9-8-12(10-15)6-7-14(16)17/h2-5,12H,6-10H2,1H3,(H,16,17)
InChIKeyCXGFZRMOJLXVBD-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,3-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002593
3-[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002592
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
CID 117002682
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981305
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
3-[1-(2-cyano-6-methylphenyl)piperidin-4-yl]propanoic acid
CID 107106077
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid (CID 117002587) is 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid is Cc1ccccc1N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is CXGFZRMOJLXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)15-9-8-12(10-15)6-7-14(16)17/h2-5,12H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 117002587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).