2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid

C15H26N2O3 — CID 116678184

IUPAC2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
SMILESCC(C(=O)N(C)C1(CC(=O)O)CCCCC1)C1CNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-9-16-10-12)14(20)17(2)15(8-13(18)19)6-4-3-5-7-15/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyZCGHHGYHVQFMOA-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds5

About 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid

2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid (PubChem CID 116678184) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
PubChem CID116678184
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
SMILESCC(C(=O)N(C)C1(CC(=O)O)CCCCC1)C1CNC1
InChIInChI=1S/C15H26N2O3/c1-11(12-9-16-10-12)14(20)17(2)15(8-13(18)19)6-4-3-5-7-15/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyZCGHHGYHVQFMOA-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
CID 116676401
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 113490296
2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
CID 65240806
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid (CID 116678184) is 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid is CC(C(=O)N(C)C1(CC(=O)O)CCCCC1)C1CNC1.
What is the InChIKey of 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is ZCGHHGYHVQFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-9-16-10-12)14(20)17(2)15(8-13(18)19)6-4-3-5-7-15/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid?
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 116678184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).