3-[acetyl(1-adamantyl)amino]propanoic acid

C15H23NO3 — CID 57481269

IUPAC3-[acetyl(1-adamantyl)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-10(17)16(3-2-14(18)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H,18,19)
InChIKeyXEGWEOAYMWNTNX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds4

About 3-[acetyl(1-adamantyl)amino]propanoic acid

3-[acetyl(1-adamantyl)amino]propanoic acid (PubChem CID 57481269) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[acetyl(1-adamantyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(1-adamantyl)amino]propanoic acid
PubChem CID57481269
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[acetyl(1-adamantyl)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c1-10(17)16(3-2-14(18)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H,18,19)
InChIKeyXEGWEOAYMWNTNX-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-adamantyl)amino]propanoic acid?
The IUPAC name of 3-[acetyl(1-adamantyl)amino]propanoic acid (CID 57481269) is 3-[acetyl(1-adamantyl)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(1-adamantyl)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(1-adamantyl)amino]propanoic acid is CC(=O)N(CCC(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[acetyl(1-adamantyl)amino]propanoic acid?
The InChIKey is XEGWEOAYMWNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(17)16(3-2-14(18)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 3-[acetyl(1-adamantyl)amino]propanoic acid?
3-[acetyl(1-adamantyl)amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-adamantyl)amino]propanoic acid is sourced from PubChem (CID 57481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).