2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

C10H19NO2 — CID 115103385

IUPAC2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCCN1
InChIInChI=1S/C10H19NO2/c1-9(2,3)7-10(8(12)13)5-4-6-11-10/h11H,4-7H2,1-3H3,(H,12,13)
InChIKeyZRWCRDHAJFXCQA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds2

About 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid (PubChem CID 115103385) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
PubChem CID115103385
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCCN1
InChIInChI=1S/C10H19NO2/c1-9(2,3)7-10(8(12)13)5-4-6-11-10/h11H,4-7H2,1-3H3,(H,12,13)
InChIKeyZRWCRDHAJFXCQA-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid (CID 115103385) is 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid is CC(C)(C)CC1(C(=O)O)CCCN1.
What is the InChIKey of 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZRWCRDHAJFXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)7-10(8(12)13)5-4-6-11-10/h11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid?
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115103385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).