(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid

C15H24N2O2 — CID 138487435

IUPAC(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C#N)[C@H]1CC[C@@H](C2CCCCC2)N1C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(2,10-16)13-9-8-12(17(13)14(18)19)11-6-4-3-5-7-11/h11-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyBCXFWLGLBJCQRV-QWHCGFSZSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds2

About (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid

(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid (PubChem CID 138487435) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid
PubChem CID138487435
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid
SMILESCC(C)(C#N)[C@H]1CC[C@@H](C2CCCCC2)N1C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(2,10-16)13-9-8-12(17(13)14(18)19)11-6-4-3-5-7-11/h11-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyBCXFWLGLBJCQRV-QWHCGFSZSA-N
XLogP3.63
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid (CID 138487435) is (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid is CC(C)(C#N)[C@H]1CC[C@@H](C2CCCCC2)N1C(=O)O.
What is the InChIKey of (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid?
The InChIKey is BCXFWLGLBJCQRV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,10-16)13-9-8-12(17(13)14(18)19)11-6-4-3-5-7-11/h11-13H,3-9H2,1-2H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid?
(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138487435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).