2-[1-(1-adamantyl)ethylamino]propanoic acid

C15H25NO2 — CID 54959577

IUPAC2-[1-(1-adamantyl)ethylamino]propanoic acid
SMILESCC(NC(C)C12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H25NO2/c1-9(14(17)18)16-10(2)15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRUTHRHCBWVFLFM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(1-adamantyl)ethylamino]propanoic acid

2-[1-(1-adamantyl)ethylamino]propanoic acid (PubChem CID 54959577) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(1-adamantyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(1-adamantyl)ethylamino]propanoic acid
PubChem CID54959577
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(1-adamantyl)ethylamino]propanoic acid
SMILESCC(NC(C)C12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H25NO2/c1-9(14(17)18)16-10(2)15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyRUTHRHCBWVFLFM-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantyl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(1-adamantyl)ethylamino]propanoic acid (CID 54959577) is 2-[1-(1-adamantyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(1-adamantyl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(1-adamantyl)ethylamino]propanoic acid is CC(NC(C)C12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of 2-[1-(1-adamantyl)ethylamino]propanoic acid?
The InChIKey is RUTHRHCBWVFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9(14(17)18)16-10(2)15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(1-adamantyl)ethylamino]propanoic acid?
2-[1-(1-adamantyl)ethylamino]propanoic acid has a molecular weight of 251.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantyl)ethylamino]propanoic acid is sourced from PubChem (CID 54959577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).