methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate

C15H26N2O3 — CID 54546442

IUPACmethyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C15H26N2O3/c1-11(16)13(18)17-10-6-9-15(17,14(19)20-2)12-7-4-3-5-8-12/h11-12H,3-10,16H2,1-2H3/t11-,15+/m0/s1
InChIKeyZGVWQUAGAMYMJQ-XHDPSFHLSA-N
MW282.38 g/mol
LogP1.45
Rot. Bonds3

About methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate

methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate (PubChem CID 54546442) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
PubChem CID54546442
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)[C@H](C)N
InChIInChI=1S/C15H26N2O3/c1-11(16)13(18)17-10-6-9-15(17,14(19)20-2)12-7-4-3-5-8-12/h11-12H,3-10,16H2,1-2H3/t11-,15+/m0/s1
InChIKeyZGVWQUAGAMYMJQ-XHDPSFHLSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate (CID 54546442) is methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate is COC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)[C@H](C)N.
What is the InChIKey of methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate?
The InChIKey is ZGVWQUAGAMYMJQ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(16)13(18)17-10-6-9-15(17,14(19)20-2)12-7-4-3-5-8-12/h11-12H,3-10,16H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate?
methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate is sourced from PubChem (CID 54546442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).