2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C15H20N2O4 — CID 102657589

IUPAC2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C15H20N2O4/c1-15(21-8-13(18)19)9-16(10-15)14(20)12-6-3-7-17(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyVZEWQIKXNRHFHE-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.53
Rot. Bonds5

About 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657589) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657589
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C15H20N2O4/c1-15(21-8-13(18)19)9-16(10-15)14(20)12-6-3-7-17(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyVZEWQIKXNRHFHE-UHFFFAOYSA-N
XLogP1.53
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 166275939
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 114610398

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657589) is 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)c2cccn2C2CCC2)C1.
What is the InChIKey of 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is VZEWQIKXNRHFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(21-8-13(18)19)9-16(10-15)14(20)12-6-3-7-17(12)11-4-2-5-11/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).