2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid

C15H26N2O3 — CID 64618276

IUPAC2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCC(NC(=O)N1CC(CC(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-13(12-6-4-3-5-7-12)16-15(20)17-9-11(10-17)8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAUVCELBNCKMGKV-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64618276) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64618276
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCCC(NC(=O)N1CC(CC(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-13(12-6-4-3-5-7-12)16-15(20)17-9-11(10-17)8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAUVCELBNCKMGKV-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid (CID 64618276) is 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid is CCC(NC(=O)N1CC(CC(=O)O)C1)C1CCCCC1.
What is the InChIKey of 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is AUVCELBNCKMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-13(12-6-4-3-5-7-12)16-15(20)17-9-11(10-17)8-14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclohexylpropylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).