(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 18337685

IUPAC(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24N2O3/c1-10(15)12(17)16-9-5-8-14(16,13(18)19)11-6-3-2-4-7-11/h10-11H,2-9,15H2,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyLXENKGXLEFXGDL-IINYFYTJSA-N
MW268.36 g/mol
LogP1.36
Rot. Bonds3

About (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid

(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid (PubChem CID 18337685) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
PubChem CID18337685
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24N2O3/c1-10(15)12(17)16-9-5-8-14(16,13(18)19)11-6-3-2-4-7-11/h10-11H,2-9,15H2,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyLXENKGXLEFXGDL-IINYFYTJSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid (CID 18337685) is (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
The InChIKey is LXENKGXLEFXGDL-IINYFYTJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(15)12(17)16-9-5-8-14(16,13(18)19)11-6-3-2-4-7-11/h10-11H,2-9,15H2,1H3,(H,18,19)/t10-,14+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid?
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18337685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).