cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate

C14H26N2O4 — CID 139677117

IUPACcyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
SMILESCC(O)C(=O)N1CCC[C@H]1C(=O)[O-].[NH3+]C1CCCCC1
InChIInChI=1S/C8H13NO4.C6H13N/c1-5(10)7(11)9-4-2-3-6(9)8(12)13;7-6-4-2-1-3-5-6/h5-6,10H,2-4H2,1H3,(H,12,13);6H,1-5,7H2/t5?,6-;/m0./s1
InChIKeyFAWUFSNSBDUZFN-PQAGPIFVSA-N
MW286.37 g/mol
LogP-1.33
Rot. Bonds2

About cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate

cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate (PubChem CID 139677117) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namecyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
PubChem CID139677117
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namecyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
SMILESCC(O)C(=O)N1CCC[C@H]1C(=O)[O-].[NH3+]C1CCCCC1
InChIInChI=1S/C8H13NO4.C6H13N/c1-5(10)7(11)9-4-2-3-6(9)8(12)13;7-6-4-2-1-3-5-6/h5-6,10H,2-4H2,1H3,(H,12,13);6H,1-5,7H2/t5?,6-;/m0./s1
InChIKeyFAWUFSNSBDUZFN-PQAGPIFVSA-N
XLogP-1.33
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-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

Related Compounds

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
CID 142547749
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
sodium 1-(2-methyl-3-sulfanylpropanoyl)piperidine-2-carboxylate
CID 88787958
potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 23715032
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
cyclohexylazanium;(2S)-1-[(2S)-2-[deuteriomethyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 139642157
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
disodium bis((2S)-1-[(2S)-2-[[oxo(phenyl)phosphaniumyl]amino]propanoyl]pyrrolidine-2-carboxylate)
CID 22819193
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate (CID 139677117) is cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate is CC(O)C(=O)N1CCC[C@H]1C(=O)[O-].[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is FAWUFSNSBDUZFN-PQAGPIFVSA-N. The full InChI is InChI=1S/C8H13NO4.C6H13N/c1-5(10)7(11)9-4-2-3-6(9)8(12)13;7-6-4-2-1-3-5-6/h5-6,10H,2-4H2,1H3,(H,12,13);6H,1-5,7H2/t5?,6-;/m0./s1.
What are the key properties of cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate?
cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 139677117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).