3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid

C14H20N2O3 — CID 117004298

IUPAC3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
SMILESCOc1ccc(N2CCC(NCCC(=O)O)C2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-12(3-5-13)16-9-7-11(10-16)15-8-6-14(17)18/h2-5,11,15H,6-10H2,1H3,(H,17,18)
InChIKeyXTPFXQZAYOHOLH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.34
Rot. Bonds6

About 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid

3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid (PubChem CID 117004298) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
PubChem CID117004298
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
SMILESCOc1ccc(N2CCC(NCCC(=O)O)C2)cc1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-12(3-5-13)16-9-7-11(10-16)15-8-6-14(17)18/h2-5,11,15H,6-10H2,1H3,(H,17,18)
InChIKeyXTPFXQZAYOHOLH-UHFFFAOYSA-N
XLogP1.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
3-[[1-(2-bromo-4-methylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004302
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981305
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid (CID 117004298) is 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid is COc1ccc(N2CCC(NCCC(=O)O)C2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid?
The InChIKey is XTPFXQZAYOHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-4-2-12(3-5-13)16-9-7-11(10-16)15-8-6-14(17)18/h2-5,11,15H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid?
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid is sourced from PubChem (CID 117004298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).