2-[(3aR,6aR)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]acetic acid
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Basic information
- CAS
335458-64-5- Standard SMILES
NCC1(CC(=O)O)C[C@H]2CCC[C@@H]2C1- InChIKey
GSBZRDSCOPXLJJ-RKDXNWHRSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
Names & identifiers
- Preferred name
- 2-[(3aR,6aR)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]acetic acid
- IUPAC
- 2-[(3aR,6aR)-2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]acetic acid
- English name
- 2-Pentaleneaceticacid,2-(aminomethyl)octahydro-,(2-alpha-,3a-alpha-,6a-bta-)-(9CI)
- Molecular formula
- C11H19NO2
- Molecular weight
- 197.27406
Names & synonyms
SCHEMBL145595902-Pentaleneaceticacid,2-(aminomethyl)octahydro-,(2-alpha-,3a-alpha-,6a-bta-)-(9CI)
Database identifiers
- CAS
335458-64-5
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
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Compound notes
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