2-(2-benzylpyrrolidin-1-yl)acetic acid

C13H17NO2 — CID 19705457

IUPAC2-(2-benzylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)10-14-8-4-7-12(14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyYAQXLLXLQIUAQX-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.78
Rot. Bonds4

About 2-(2-benzylpyrrolidin-1-yl)acetic acid

2-(2-benzylpyrrolidin-1-yl)acetic acid (PubChem CID 19705457) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-benzylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzylpyrrolidin-1-yl)acetic acid
PubChem CID19705457
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2-benzylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)10-14-8-4-7-12(14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyYAQXLLXLQIUAQX-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-benzylpyrrolidin-1-yl)acetic acid (CID 19705457) is 2-(2-benzylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-benzylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-benzylpyrrolidin-1-yl)acetic acid is O=C(O)CN1CCCC1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylpyrrolidin-1-yl)acetic acid?
The InChIKey is YAQXLLXLQIUAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)10-14-8-4-7-12(14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16).
What are the key properties of 2-(2-benzylpyrrolidin-1-yl)acetic acid?
2-(2-benzylpyrrolidin-1-yl)acetic acid has a molecular weight of 219.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 19705457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).