2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid

C13H20N2O3 — CID 114096749

IUPAC2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H20N2O3/c1-6(12(16)17)15(2)13(18)14-11-9-7-3-4-8(5-7)10(9)11/h6-11H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUDDDKARVUSWZJR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.15
Rot. Bonds3

About 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid

2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid (PubChem CID 114096749) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
PubChem CID114096749
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H20N2O3/c1-6(12(16)17)15(2)13(18)14-11-9-7-3-4-8(5-7)10(9)11/h6-11H,3-5H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUDDDKARVUSWZJR-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid (CID 114096749) is 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid?
The InChIKey is UDDDKARVUSWZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-6(12(16)17)15(2)13(18)14-11-9-7-3-4-8(5-7)10(9)11/h6-11H,3-5H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid?
2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 114096749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).