(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid

C10H19N2O3+ — CID 57019078

IUPAC(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid
SMILESC[C@@H]1CCC[N+]1(C(=O)O)C(=O)CCCN
InChIInChI=1S/C10H18N2O3/c1-8-4-3-7-12(8,10(14)15)9(13)5-2-6-11/h8H,2-7,11H2,1H3/p+1/t8-,12?/m1/s1
InChIKeyHFURJYCDHMIBGE-SZSXPDSJSA-O
MW215.27 g/mol
LogP0.93
Rot. Bonds3

About (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid

(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid (PubChem CID 57019078) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid
PubChem CID57019078
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid
SMILESC[C@@H]1CCC[N+]1(C(=O)O)C(=O)CCCN
InChIInChI=1S/C10H18N2O3/c1-8-4-3-7-12(8,10(14)15)9(13)5-2-6-11/h8H,2-7,11H2,1H3/p+1/t8-,12?/m1/s1
InChIKeyHFURJYCDHMIBGE-SZSXPDSJSA-O
XLogP0.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid 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 (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid?
The IUPAC name of (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid (CID 57019078) is (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid?
The canonical SMILES for (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid is C[C@@H]1CCC[N+]1(C(=O)O)C(=O)CCCN.
What is the InChIKey of (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid?
The InChIKey is HFURJYCDHMIBGE-SZSXPDSJSA-O. The full InChI is InChI=1S/C10H18N2O3/c1-8-4-3-7-12(8,10(14)15)9(13)5-2-6-11/h8H,2-7,11H2,1H3/p+1/t8-,12?/m1/s1.
What are the key properties of (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid?
(2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminobutanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid is sourced from PubChem (CID 57019078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).