1,2,2-trimethylazetidine-3-carboxylic acid

C7H13NO2 — CID 155290917

IUPAC1,2,2-trimethylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)5(6(9)10)4-8(7)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeySFPRZQBXWDOOPD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds1

About 1,2,2-trimethylazetidine-3-carboxylic acid

1,2,2-trimethylazetidine-3-carboxylic acid (PubChem CID 155290917) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1,2,2-trimethylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethylazetidine-3-carboxylic acid
PubChem CID155290917
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1,2,2-trimethylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)5(6(9)10)4-8(7)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeySFPRZQBXWDOOPD-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
(3S)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylic acid
CID 45038575
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017264
1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid
CID 83837174
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
8,8-dimethylspiro[2.5]octane-2-carboxylic acid
CID 79852250
2,2-dimethyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 117022864
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylazetidine-3-carboxylic acid?
The IUPAC name of 1,2,2-trimethylazetidine-3-carboxylic acid (CID 155290917) is 1,2,2-trimethylazetidine-3-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethylazetidine-3-carboxylic acid?
The canonical SMILES for 1,2,2-trimethylazetidine-3-carboxylic acid is CN1CC(C(=O)O)C1(C)C.
What is the InChIKey of 1,2,2-trimethylazetidine-3-carboxylic acid?
The InChIKey is SFPRZQBXWDOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5(6(9)10)4-8(7)3/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of 1,2,2-trimethylazetidine-3-carboxylic acid?
1,2,2-trimethylazetidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylazetidine-3-carboxylic acid is sourced from PubChem (CID 155290917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).