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MFCD04038982 molecular structure
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1-cyclopropylazetidine-2-carboxylic acid

ChemBase ID: 91380
Molecular Formular: C7H11NO2
Molecular Mass: 141.16774
Monoisotopic Mass: 141.0789786
SMILES and InChIs

SMILES:
N1(C2CC2)C(CC1)C(=O)O
Canonical SMILES:
OC(=O)C1CCN1C1CC1
InChI:
InChI=1S/C7H11NO2/c9-7(10)6-3-4-8(6)5-1-2-5/h5-6H,1-4H2,(H,9,10)
InChIKey:
QDRPFOSMXOKQSS-UHFFFAOYSA-N

Cite this record

CBID:91380 http://www.chembase.cn/molecule-91380.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropylazetidine-2-carboxylic acid
IUPAC Traditional name
1-cyclopropylazetidine-2-carboxylic acid
Synonyms
1-Cyclopropyl-2-azetidinecarboxylic acid
MDL Number
MFCD04038982
PubChem SID
162078079
PubChem CID
4385128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 4385128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5682576  H Acceptors
H Donor LogD (pH = 5.5) -2.4951687 
LogD (pH = 7.4) -2.4982488  Log P -2.4952264 
Molar Refractivity 35.9256 cm3 Polarizability 14.237042 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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