4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 63719521

IUPAC4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(C)(C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)9(14)15)10(16)11(2,3)12-4/h7-8,12H,5-6H2,1-4H3,(H,14,15)
InChIKeyNWZJBVWRMILQRW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.16
Rot. Bonds3

About 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63719521) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63719521
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(C)(C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)9(14)15)10(16)11(2,3)12-4/h7-8,12H,5-6H2,1-4H3,(H,14,15)
InChIKeyNWZJBVWRMILQRW-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid (CID 63719521) is 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid is CNC(C)(C)C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NWZJBVWRMILQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)9(14)15)10(16)11(2,3)12-4/h7-8,12H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).