2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 79798216

IUPAC2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-11(3,10(15)16)13-9(14)8-5-6-12-7(8)2/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyICWMDHZUVQERKA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds4

About 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid

2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 79798216) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID79798216
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCNC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-11(3,10(15)16)13-9(14)8-5-6-12-7(8)2/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyICWMDHZUVQERKA-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 79798216) is 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)C1CCNC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is ICWMDHZUVQERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-11(3,10(15)16)13-9(14)8-5-6-12-7(8)2/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).