2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid

C11H21NO2 — CID 83080746

IUPAC2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CCC1(C(=O)O)CCCN1
InChIInChI=1S/C11H21NO2/c1-10(2,3)6-7-11(9(13)14)5-4-8-12-11/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyOWJYLBQNMSISIK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds3

About 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid

2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080746) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
PubChem CID83080746
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CCC1(C(=O)O)CCCN1
InChIInChI=1S/C11H21NO2/c1-10(2,3)6-7-11(9(13)14)5-4-8-12-11/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyOWJYLBQNMSISIK-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 66832567
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
2-(3,3-dimethylbutyl)-2-methylpyrrolidine
CID 66466219
(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid
CID 131206611
2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
CID 53398204
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid (CID 83080746) is 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid is CC(C)(C)CCC1(C(=O)O)CCCN1.
What is the InChIKey of 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OWJYLBQNMSISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)6-7-11(9(13)14)5-4-8-12-11/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid?
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).