4,4-dimethylpyrrolidine-3-carboxylic acid

C7H13NO2 — CID 5103410

IUPAC4,4-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CNCC1C(=O)O
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyFWOHOVIXBANHEB-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds1

About 4,4-dimethylpyrrolidine-3-carboxylic acid

4,4-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 5103410) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4,4-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethylpyrrolidine-3-carboxylic acid
PubChem CID5103410
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4,4-dimethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CNCC1C(=O)O
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyFWOHOVIXBANHEB-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
cis-3,4-Pyrrolidinedicarboxylic acid
CID 1515155
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
4-Hydroxymethyl-Pyrrolidine-3-Carboxylic Acid
CID 4059864
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethylpyrrolidine-3-carboxylic acid (CID 5103410) is 4,4-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethylpyrrolidine-3-carboxylic acid is CC1(C)CNCC1C(=O)O.
What is the InChIKey of 4,4-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is FWOHOVIXBANHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4,4-dimethylpyrrolidine-3-carboxylic acid?
4,4-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5103410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).