1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C10H16N2O3 — CID 79371917

IUPAC1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-6-8(10(14)15)2-3-12(6)9(13)7-4-11-5-7/h6-8,11H,2-5H2,1H3,(H,14,15)
InChIKeyCXKNGSLHEAVYCJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.47
Rot. Bonds2

About 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79371917) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79371917
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1CNC1
InChIInChI=1S/C10H16N2O3/c1-6-8(10(14)15)2-3-12(6)9(13)7-4-11-5-7/h6-8,11H,2-5H2,1H3,(H,14,15)
InChIKeyCXKNGSLHEAVYCJ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79371917) is 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1CNC1.
What is the InChIKey of 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CXKNGSLHEAVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-8(10(14)15)2-3-12(6)9(13)7-4-11-5-7/h6-8,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).