2-(azetidin-3-yl)cyclopropane-1-carboxylic acid

C7H11NO2 — CID 55279783

IUPAC2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CNC1
InChIInChI=1S/C7H11NO2/c9-7(10)6-1-5(6)4-2-8-3-4/h4-6,8H,1-3H2,(H,9,10)
InChIKeyDPBAXFOJUNRVNE-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.07
Rot. Bonds2

About 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid

2-(azetidin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 55279783) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID55279783
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CNC1
InChIInChI=1S/C7H11NO2/c9-7(10)6-1-5(6)4-2-8-3-4/h4-6,8H,1-3H2,(H,9,10)
InChIKeyDPBAXFOJUNRVNE-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
CID 55253786
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
CID 178194493
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
CID 67231854
2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
CID 130542777
(1R)-2-(3-acetamidocyclobutyl)cyclopropane-1-carboxylic acid
CID 178194513
(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid
CID 138991561
(3S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid;hydrochloride
CID 138991560
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid (CID 55279783) is 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is DPBAXFOJUNRVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)6-1-5(6)4-2-8-3-4/h4-6,8H,1-3H2,(H,9,10).
What are the key properties of 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid?
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55279783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).