3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid

C14H19NO3 — CID 82087126

IUPAC3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
SMILESCOc1cccc(CC(C(=O)O)N2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-6-4-5-11(9-12)10-13(14(16)17)15-7-2-3-8-15/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyRWXSHBVQHNOIKK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid

3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 82087126) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
PubChem CID82087126
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
SMILESCOc1cccc(CC(C(=O)O)N2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-18-12-6-4-5-11(9-12)10-13(14(16)17)15-7-2-3-8-15/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyRWXSHBVQHNOIKK-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
2-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanoic acid
CID 112513556
4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79419135

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid (CID 82087126) is 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid is COc1cccc(CC(C(=O)O)N2CCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is RWXSHBVQHNOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-6-4-5-11(9-12)10-13(14(16)17)15-7-2-3-8-15/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17).
What are the key properties of 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid?
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 82087126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).