3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid

C15H22N2O2 — CID 103976377

IUPAC3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
SMILESCC(N)C1CCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-11(16)13-7-8-17(9-13)10-14(15(18)19)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,18,19)
InChIKeyGSLRZBRMFRUTFS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds5

About 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid

3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid (PubChem CID 103976377) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
PubChem CID103976377
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
SMILESCC(N)C1CCN(CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-11(16)13-7-8-17(9-13)10-14(15(18)19)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,18,19)
InChIKeyGSLRZBRMFRUTFS-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 56993017
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid (CID 103976377) is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid is CC(N)C1CCN(CC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid?
The InChIKey is GSLRZBRMFRUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)13-7-8-17(9-13)10-14(15(18)19)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,16H2,1H3,(H,18,19).
What are the key properties of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid?
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 103976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).