(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

C16H17NO3 — CID 58779077

IUPAC(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O
InChIInChI=1S/C16H17NO3/c1-17-10-14(9-15(17)16(18)19)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyMQFITTOATPZWBD-GJZGRUSLSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds3

About (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (PubChem CID 58779077) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
PubChem CID58779077
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O
InChIInChI=1S/C16H17NO3/c1-17-10-14(9-15(17)16(18)19)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyMQFITTOATPZWBD-GJZGRUSLSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid (CID 58779077) is (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is CN1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is MQFITTOATPZWBD-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17-10-14(9-15(17)16(18)19)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3,(H,18,19)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-methyl-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58779077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).