2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid

C17H19NO2 — CID 43803468

IUPAC2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C17H19NO2/c1-17(16(19)20,18-11-4-5-12-18)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10H,4-5,11-12H2,1H3,(H,19,20)
InChIKeyDQKUJJBTGDZXNE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.24
Rot. Bonds3

About 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid

2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 43803468) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
PubChem CID43803468
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C17H19NO2/c1-17(16(19)20,18-11-4-5-12-18)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10H,4-5,11-12H2,1H3,(H,19,20)
InChIKeyDQKUJJBTGDZXNE-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid (CID 43803468) is 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid is CC(C(=O)O)(c1cccc2ccccc12)N1CCCC1.
What is the InChIKey of 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is DQKUJJBTGDZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(16(19)20,18-11-4-5-12-18)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,6-10H,4-5,11-12H2,1H3,(H,19,20).
What are the key properties of 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid?
2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 43803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).