2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid

C15H21NO2 — CID 97081999

IUPAC2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)12-16-11-5-10-14(16)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m0/s1
InChIKeyPZVMFIJXIYYQAZ-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds6

About 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid

2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid (PubChem CID 97081999) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid
PubChem CID97081999
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)12-16-11-5-10-14(16)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m0/s1
InChIKeyPZVMFIJXIYYQAZ-AWEZNQCLSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid (CID 97081999) is 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC[C@@H]1CCCc1ccccc1.
What is the InChIKey of 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is PZVMFIJXIYYQAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)12-16-11-5-10-14(16)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid?
2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 97081999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).