3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid

C17H24N2O3 — CID 122018496

IUPAC3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1CCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)11-12-18-17(22)19-13-5-10-15(19)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,22)(H,20,21)
InChIKeyVYBXSLZOTJPYHO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.66
Rot. Bonds7

About 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid

3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018496) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID122018496
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCC1CCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)11-12-18-17(22)19-13-5-10-15(19)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,22)(H,20,21)
InChIKeyVYBXSLZOTJPYHO-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]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-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018006
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 122018496) is 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCCC1CCCc1ccccc1.
What is the InChIKey of 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is VYBXSLZOTJPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(21)11-12-18-17(22)19-13-5-10-15(19)9-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,22)(H,20,21).
What are the key properties of 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).