3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid

C8H14N2O2 — CID 84765781

IUPAC3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCC2)CCNC1
InChIInChI=1S/C8H14N2O2/c11-7(12)8(2-3-9-6-8)10-4-1-5-10/h9H,1-6H2,(H,11,12)
InChIKeyUPTLJGWNSNUYFZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.49
Rot. Bonds2

About 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid

3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 84765781) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID84765781
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCC2)CCNC1
InChIInChI=1S/C8H14N2O2/c11-7(12)8(2-3-9-6-8)10-4-1-5-10/h9H,1-6H2,(H,11,12)
InChIKeyUPTLJGWNSNUYFZ-UHFFFAOYSA-N
XLogP-0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103
3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 164655461
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
CID 105434455
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
CID 84795452
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 61291228
3-piperazin-1-ylthietane-3-carboxylic acid
CID 105454677
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
1-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]cyclobutane-1-carboxylic acid
CID 167732166
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid (CID 84765781) is 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1(N2CCC2)CCNC1.
What is the InChIKey of 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UPTLJGWNSNUYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7(12)8(2-3-9-6-8)10-4-1-5-10/h9H,1-6H2,(H,11,12).
What are the key properties of 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid?
3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).