Basic information
- Standard SMILES
C#CCC(NC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2)C(=O)O- InChIKey
PHWJHMFUFAYEHY-UHFFFAOYSA-N- Molecular formula
- C18H23NO5
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.15762283
Names & identifiers
- Preferred name
- 2-(3-Methoxycarbonyladamant-1-ylcarbonylamino)pent-4-ynoic Acid
- IUPAC
- 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]pent-4-ynoic acid
Names & synonyms
SCHEMBL5860002PHWJHMFUFAYEHY-UHFFFAOYSA-N2-(3-Methoxycarbonyladamant-1-ylcarbonylamino)pent-4-ynoic Acid
Database identifiers
- PubChem CID
- 9884064
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 617
Related reactions
4 records
Compound notes
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