2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid

C17H19NO2 — CID 154860928

IUPAC2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(20)12-18-9-3-6-16(18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,19,20)
InChIKeyBBGAEWUGEYBBIH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.93
Rot. Bonds4

About 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid

2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 154860928) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid
PubChem CID154860928
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(20)12-18-9-3-6-16(18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,19,20)
InChIKeyBBGAEWUGEYBBIH-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid (CID 154860928) is 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCCC1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is BBGAEWUGEYBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)12-18-9-3-6-16(18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,19,20).
What are the key properties of 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid?
2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 154860928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).