4-Aminocyclopent-2-ene-1-carboxylic acid
Basic information
- CAS
102579-72-6- Standard SMILES
N[C@H]1C=C[C@@H](C(=O)O)C1- InChIKey
VTCHZFWYUPZZKL-UHNVWZDZSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- 4-Aminocyclopent-2-ene-1-carboxylic acid
- IUPAC
- (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
- English name
- (-)-(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid
- Molecular formula
- C6H9NO2
- Molecular weight
- 127.14
Names & synonyms
DTXSID80907765102579-72-6RefChem:1070327DTXCID1013368534-Aminocyclopent-2-ene-1-carboxylic acid(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid134234-04-1(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid168471-40-7(-)-(1S,4R)-4-Aminocyclopent-2-enecarboxylic acidMFCD00211286CHEMBL145625
Show more names
(-)-(1S,4R)-GAMMA-HOMOCYCLOLEU-2-ENE(1R,4R)-4-Aminocyclopent-2-enecarboxylic acid(1S,4R)-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID 95%, (98% E.E.)
(1S,4R)-4-Amino-2-cyclopenten-1-carboxylic Acid Hydrochloride2-Cyclopentene-1-carboxylicacid,4-amino-,(1S,4R)-(9CI)(1S,4R)-4-Aminocyclopent-2-enecarboxylicacidPeramivir Impurity 28134234-04-1(free base)MFCD27922565(1S,4R)-4-AMINO-2-CYCLOPENTENE-1-CARBOXYLIC ACIDSCHEMBL607627
Database identifiers
- CAS
102579-72-6、168471-40-7- PubChem CID
- 10034643
- DTXSID
DTXSID80907765- ChEMBL
CHEMBL145625- EC Number
- 801-728-9
- Nikkaji
- J1.216.923J
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 139.3 °C · 139.3°C
- Boiling point
- 235.91 °C · 235.91°C (rough estimate)
- Density
- 1.1931 · 1.1931 (rough estimate)
- refractive index
- 1.4645 · 1.4645 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
1 records
Compound notes
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