(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid

C15H15NO3 — CID 67245808

IUPAC(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C(O)CCN1c1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c17-13-8-9-16(14(13)15(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17H,8-9H2,(H,18,19)/t13?,14-/m0/s1
InChIKeyIFIOBTPREWOQBS-KZUDCZAMSA-N
MW257.29 g/mol
LogP1.86
Rot. Bonds2

About (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid

(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid (PubChem CID 67245808) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
PubChem CID67245808
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C(O)CCN1c1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c17-13-8-9-16(14(13)15(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17H,8-9H2,(H,18,19)/t13?,14-/m0/s1
InChIKeyIFIOBTPREWOQBS-KZUDCZAMSA-N
XLogP1.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
CID 40623391
1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylic acid
CID 121209164
1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 12011688
2-methyl-5-naphthalen-1-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345654
2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
CID 69091830
2-(1-naphthalen-1-ylpiperidin-4-yl)acetonitrile
CID 140556482
2-ethenyl-1-naphthalen-1-ylpyrrolidine
CID 164888024
(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 138114242
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid
CID 174501263

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid (CID 67245808) is (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C(O)CCN1c1cccc2ccccc12.
What is the InChIKey of (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid?
The InChIKey is IFIOBTPREWOQBS-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-8-9-16(14(13)15(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,17H,8-9H2,(H,18,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid?
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67245808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).