3-(azetidine-1-carbonyl)benzoic acid

C11H11NO3 — CID 127019188

IUPAC3-(azetidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C11H11NO3/c13-10(12-5-2-6-12)8-3-1-4-9(7-8)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeyPQHNINRHOJTMPH-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.23
Rot. Bonds2

About 3-(azetidine-1-carbonyl)benzoic acid

3-(azetidine-1-carbonyl)benzoic acid (PubChem CID 127019188) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)benzoic acid
PubChem CID127019188
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(azetidine-1-carbonyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C11H11NO3/c13-10(12-5-2-6-12)8-3-1-4-9(7-8)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKeyPQHNINRHOJTMPH-UHFFFAOYSA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
CID 142843675
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
3-(azecane-1-carbonyl)benzamide
CID 66696565
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)benzoic acid?
The IUPAC name of 3-(azetidine-1-carbonyl)benzoic acid (CID 127019188) is 3-(azetidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-(azetidine-1-carbonyl)benzoic acid?
The canonical SMILES for 3-(azetidine-1-carbonyl)benzoic acid is O=C(O)c1cccc(C(=O)N2CCC2)c1.
What is the InChIKey of 3-(azetidine-1-carbonyl)benzoic acid?
The InChIKey is PQHNINRHOJTMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(12-5-2-6-12)8-3-1-4-9(7-8)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15).
What are the key properties of 3-(azetidine-1-carbonyl)benzoic acid?
3-(azetidine-1-carbonyl)benzoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 127019188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).