4-(1-adamantylmethylamino)butanoic acid

C15H25NO2 — CID 43473784

IUPAC4-(1-adamantylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c17-14(18)2-1-3-16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,1-10H2,(H,17,18)
InChIKeyYPGIFBDEEIXGCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.66
Rot. Bonds6

About 4-(1-adamantylmethylamino)butanoic acid

4-(1-adamantylmethylamino)butanoic acid (PubChem CID 43473784) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-adamantylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-adamantylmethylamino)butanoic acid
PubChem CID43473784
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(1-adamantylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c17-14(18)2-1-3-16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,1-10H2,(H,17,18)
InChIKeyYPGIFBDEEIXGCD-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethylamino)butanoic acid?
The IUPAC name of 4-(1-adamantylmethylamino)butanoic acid (CID 43473784) is 4-(1-adamantylmethylamino)butanoic acid.
What is the SMILES notation for 4-(1-adamantylmethylamino)butanoic acid?
The canonical SMILES for 4-(1-adamantylmethylamino)butanoic acid is O=C(O)CCCNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantylmethylamino)butanoic acid?
The InChIKey is YPGIFBDEEIXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14(18)2-1-3-16-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,16H,1-10H2,(H,17,18).
What are the key properties of 4-(1-adamantylmethylamino)butanoic acid?
4-(1-adamantylmethylamino)butanoic acid has a molecular weight of 251.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethylamino)butanoic acid is sourced from PubChem (CID 43473784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).