1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

C11H19NO3 — CID 16769475

IUPAC1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2,3)7-9(13)12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyICGZUNNKSIRQNH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds2

About 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 16769475) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID16769475
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2,3)7-9(13)12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyICGZUNNKSIRQNH-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid (CID 16769475) is 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C)CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ICGZUNNKSIRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)7-9(13)12-6-4-5-8(12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16769475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).