(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

C13H17NO2 — CID 155369489

IUPAC(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKeyOSTNIMGVYREMID-RYUDHWBXSA-N
MW219.28 g/mol
LogP1.54
Rot. Bonds4

About (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid (PubChem CID 155369489) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
PubChem CID155369489
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKeyOSTNIMGVYREMID-RYUDHWBXSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid (CID 155369489) is (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid is O=C(O)[C@@H](Cc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The InChIKey is OSTNIMGVYREMID-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 155369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).