3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid

C10H19NO2 — CID 69238948

IUPAC3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C1CCNC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)8(9(12)13)7-4-5-11-6-7/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyAKFJRTDCKBIYOF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.34
Rot. Bonds2

About 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid

3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid (PubChem CID 69238948) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
PubChem CID69238948
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C1CCNC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)8(9(12)13)7-4-5-11-6-7/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyAKFJRTDCKBIYOF-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
CID 174558406
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
CID 169194163
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
CID 69483125
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid?
The IUPAC name of 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid (CID 69238948) is 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid?
The canonical SMILES for 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid is CC(C)(C)C(C(=O)O)C1CCNC1.
What is the InChIKey of 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid?
The InChIKey is AKFJRTDCKBIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)8(9(12)13)7-4-5-11-6-7/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid?
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid is sourced from PubChem (CID 69238948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).