2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid

C11H21NO2 — CID 65248276

IUPAC2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
SMILESCC1CCN(CCC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-9-4-6-12(8-9)7-5-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOVMUUXIOYODOPS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid

2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid (PubChem CID 65248276) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
PubChem CID65248276
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
SMILESCC1CCN(CCC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-9-4-6-12(8-9)7-5-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOVMUUXIOYODOPS-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
[1-hydroxy-3-(3-methylpyrrolidin-1-yl)-1-phosphonopropyl]phosphonic acid
CID 19888308
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
CID 64828070
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
CID 174708967
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid (CID 65248276) is 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid is CC1CCN(CCC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid?
The InChIKey is OVMUUXIOYODOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-4-6-12(8-9)7-5-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid?
2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 65248276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).