3-(1-adamantylmethylamino)propanoic acid

C14H23NO2 — CID 43386837

IUPAC3-(1-adamantylmethylamino)propanoic acid
SMILESO=C(O)CCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c16-13(17)1-2-15-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyADQMJMPGLGCYEC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.27
Rot. Bonds5

About 3-(1-adamantylmethylamino)propanoic acid

3-(1-adamantylmethylamino)propanoic acid (PubChem CID 43386837) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(1-adamantylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-adamantylmethylamino)propanoic acid
PubChem CID43386837
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(1-adamantylmethylamino)propanoic acid
SMILESO=C(O)CCNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c16-13(17)1-2-15-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyADQMJMPGLGCYEC-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.27
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 3-(1-adamantylmethylamino)propanoic acid?
The IUPAC name of 3-(1-adamantylmethylamino)propanoic acid (CID 43386837) is 3-(1-adamantylmethylamino)propanoic acid.
What is the SMILES notation for 3-(1-adamantylmethylamino)propanoic acid?
The canonical SMILES for 3-(1-adamantylmethylamino)propanoic acid is O=C(O)CCNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethylamino)propanoic acid?
The InChIKey is ADQMJMPGLGCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13(17)1-2-15-9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 3-(1-adamantylmethylamino)propanoic acid?
3-(1-adamantylmethylamino)propanoic acid has a molecular weight of 237.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethylamino)propanoic acid is sourced from PubChem (CID 43386837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).