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

C14H25ClN2O3 — CID 18337684

IUPAC(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/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);1H/t10-,14+;/m0./s1
InChIKeyQESCUTGOJWSVIF-IMVWOWLCSA-N
MW304.82 g/mol
LogP1.78
Rot. Bonds3

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

(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 18337684) has the molecular formula C14H25ClN2O3 and a molecular weight of 304.82 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID18337684
Molecular FormulaC14H25ClN2O3
Molecular Weight304.82 g/mol
Exact Mass304.16
IUPAC Name(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.Cl
InChIInChI=1S/C14H24N2O3.ClH/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);1H/t10-,14+;/m0./s1
InChIKeyQESCUTGOJWSVIF-IMVWOWLCSA-N
XLogP1.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.78
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;hydrochloride?
The IUPAC name of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride (CID 18337684) is (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride is C[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.Cl.
What is the InChIKey of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is QESCUTGOJWSVIF-IMVWOWLCSA-N. The full InChI is InChI=1S/C14H24N2O3.ClH/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);1H/t10-,14+;/m0./s1.
What are the key properties of (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.78, 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;hydrochloride is sourced from PubChem (CID 18337684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).