(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

C15H15NO3 — CID 12849531

IUPAC(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1
InChIInChI=1S/C15H15NO3/c17-15(18)14-8-13(9-16-14)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16H,8-9H2,(H,17,18)/t13-,14-/m0/s1
InChIKeyJQDLSIZIZWQGDT-KBPBESRZSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds3

About (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (PubChem CID 12849531) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
PubChem CID12849531
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1
InChIInChI=1S/C15H15NO3/c17-15(18)14-8-13(9-16-14)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16H,8-9H2,(H,17,18)/t13-,14-/m0/s1
InChIKeyJQDLSIZIZWQGDT-KBPBESRZSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
CID 12849581
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanamide
CID 44331943
(2S)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-(3-naphthalen-2-yloxypropanoylamino)pentanamide
CID 44332093
(2S,4R)-4-(3-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
CID 90480167
(2S,4R)-4-(1-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
CID 90480170
(S)-2-(Naphthalen-2-yloxymethyl)-pyrrolidine
CID 9877936
(2S,4S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1-butanoyl-4-naphthalen-2-yloxypyrrolidine-2-carboxamide
CID 11262993
(2S,4R)-4-[3-(carboxymethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 90480166
(2S,4R)-4-[2-(carboxymethyl)phenoxy]pyrrolidine-2-carboxylic acid
CID 90480168
1-Naphthyl 5-oxo-L-prolinate
CID 6455651
2-(2-(Naphthalen-2-yloxy)acetamido)propanoic acid
CID 4448171
(4R)-4-hydroxy-1-[(2-isopropoxy-1-naphthyl)methyl]-L-proline
CID 77093083

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (CID 12849531) is (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1.
What is the InChIKey of (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is JQDLSIZIZWQGDT-KBPBESRZSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)14-8-13(9-16-14)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16H,8-9H2,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
(2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12849531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).