2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid

C16H17NO2 — CID 43803532

IUPAC2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(19)15(17-10-3-4-11-17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,18,19)
InChIKeyZDDGINZQSCKISY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.06
Rot. Bonds3

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

2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid (PubChem CID 43803532) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
PubChem CID43803532
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(19)15(17-10-3-4-11-17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,18,19)
InChIKeyZDDGINZQSCKISY-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-formyl-4-phenylpyrrolidin-1-yl)-2-naphthalen-1-ylacetic acid
CID 21180851
(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
CID 102507532
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[4-[methylsulfanyl-[2-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]ethyl]amino]piperidin-1-yl]-2-naphthalen-1-ylacetic acid
CID 168939988
2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
CID 59570449
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-naphthalen-1-ylacetamide
CID 70090974
1-benzyl-3-[(R)-carboxy(piperidin-1-yl)methyl]indole-6-carboxylic acid
CID 51722166
2-[4-[methylsulfonyl-[2-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]ethyl]amino]piperidin-1-yl]-2-naphthalen-1-ylacetic acid
CID 168940115
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454839

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid (CID 43803532) is 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1cccc2ccccc12)N1CCCC1.
What is the InChIKey of 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid?
The InChIKey is ZDDGINZQSCKISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)15(17-10-3-4-11-17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,18,19).
What are the key properties of 2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid?
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.06, 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-ylacetic acid is sourced from PubChem (CID 43803532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).