3-[1-adamantylmethyl(formyl)amino]propanoic acid

C15H23NO3 — CID 175241182

IUPAC3-[1-adamantylmethyl(formyl)amino]propanoic acid
SMILESO=CN(CCC(=O)O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c17-10-16(2-1-14(18)19)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,1-9H2,(H,18,19)
InChIKeyPLNHJHLOAAEJME-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About 3-[1-adamantylmethyl(formyl)amino]propanoic acid

3-[1-adamantylmethyl(formyl)amino]propanoic acid (PubChem CID 175241182) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[1-adamantylmethyl(formyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-adamantylmethyl(formyl)amino]propanoic acid
PubChem CID175241182
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[1-adamantylmethyl(formyl)amino]propanoic acid
SMILESO=CN(CCC(=O)O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO3/c17-10-16(2-1-14(18)19)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,1-9H2,(H,18,19)
InChIKeyPLNHJHLOAAEJME-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-adamantylmethyl(formyl)amino]propanoic acid?
The IUPAC name of 3-[1-adamantylmethyl(formyl)amino]propanoic acid (CID 175241182) is 3-[1-adamantylmethyl(formyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-adamantylmethyl(formyl)amino]propanoic acid?
The canonical SMILES for 3-[1-adamantylmethyl(formyl)amino]propanoic acid is O=CN(CCC(=O)O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[1-adamantylmethyl(formyl)amino]propanoic acid?
The InChIKey is PLNHJHLOAAEJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-10-16(2-1-14(18)19)9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,1-9H2,(H,18,19).
What are the key properties of 3-[1-adamantylmethyl(formyl)amino]propanoic acid?
3-[1-adamantylmethyl(formyl)amino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-adamantylmethyl(formyl)amino]propanoic acid is sourced from PubChem (CID 175241182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).