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

C16H17NO3 — CID 57085839

IUPAC(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-8-15(10-17(11)16(18)19)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyXGNPDRQZXZRAAN-ABAIWWIYSA-N
MW271.32 g/mol
LogP3.36
Rot. Bonds2

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

(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid (PubChem CID 57085839) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
PubChem CID57085839
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-8-15(10-17(11)16(18)19)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyXGNPDRQZXZRAAN-ABAIWWIYSA-N
XLogP3.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid (CID 57085839) is (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid is C[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1C(=O)O.
What is the InChIKey of (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid?
The InChIKey is XGNPDRQZXZRAAN-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-8-15(10-17(11)16(18)19)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3,(H,18,19)/t11-,15+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid?
(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57085839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).