4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid

C16H20N2O3 — CID 122033690

IUPAC4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cccc(N3CCC3=O)c2)CC1
InChIInChI=1S/C16H20N2O3/c19-15-8-9-18(15)14-3-1-2-13(10-14)17-12-6-4-11(5-7-12)16(20)21/h1-3,10-12,17H,4-9H2,(H,20,21)
InChIKeyZVMYHSZYEGXUPY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds4

About 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid

4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid (PubChem CID 122033690) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
PubChem CID122033690
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cccc(N3CCC3=O)c2)CC1
InChIInChI=1S/C16H20N2O3/c19-15-8-9-18(15)14-3-1-2-13(10-14)17-12-6-4-11(5-7-12)16(20)21/h1-3,10-12,17H,4-9H2,(H,20,21)
InChIKeyZVMYHSZYEGXUPY-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
CID 122029500
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
4-[3-(2,2,2-trifluoroethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029899
4-(3-ethylsulfanylanilino)cyclohexane-1-carboxylic acid
CID 122029853
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
CID 122151249
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46424968

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid (CID 122033690) is 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cccc(N3CCC3=O)c2)CC1.
What is the InChIKey of 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid?
The InChIKey is ZVMYHSZYEGXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-8-9-18(15)14-3-1-2-13(10-14)17-12-6-4-11(5-7-12)16(20)21/h1-3,10-12,17H,4-9H2,(H,20,21).
What are the key properties of 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid?
4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).