2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid

C13H18N2O2 — CID 115000736

IUPAC2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)N1CCC(N)C1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,10-5-3-2-4-6-10)15-8-7-11(14)9-15/h2-6,11H,7-9,14H2,1H3,(H,16,17)
InChIKeyNXJUILHPWNTWEZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid

2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid (PubChem CID 115000736) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
PubChem CID115000736
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)N1CCC(N)C1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,10-5-3-2-4-6-10)15-8-7-11(14)9-15/h2-6,11H,7-9,14H2,1H3,(H,16,17)
InChIKeyNXJUILHPWNTWEZ-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
CID 114992644
2-(3-methylazetidin-1-yl)-2-phenylpropanoic acid
CID 79695383
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-difluoro-2-phenylethanone;hydrochloride
CID 119411013
methyl (2S)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 97034679
(2S)-2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-phenylpropanoic acid
CID 20664100
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817
(3S)-1-tritylazepan-3-amine
CID 54215534
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid (CID 115000736) is 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid is CC(C(=O)O)(c1ccccc1)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid?
The InChIKey is NXJUILHPWNTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(12(16)17,10-5-3-2-4-6-10)15-8-7-11(14)9-15/h2-6,11H,7-9,14H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid?
2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 115000736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).