Basic information
- CAS
13893-43-1- Standard SMILES
CCCC(N)C(=O)OCC- InChIKey
DPBOUPADTRCCIH-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- Ethyl 2-aminopentanoate
- IUPAC
- ethyl 2-aminopentanoate
- English name
- (R)-2-Amino-pentanoic acid ethyl ester
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
Ethyl 2-aminopentanoate13893-43-1DL-Norvaline, ethyl esterD-norvaline ethyl esterEthyl norvalinateEthyl DL-norvalinateO-Ethyl-DL-norvalineNorvaline, ethyl esterDL-Norvaline ethyl ester4XHK9HS7TKEthyl 2-aminopentanoate #SCHEMBL3195552
Show more names
(R)-2-Amino-pentanoic acid ethyl ester
SCHEMBL7527307SCHEMBL19056966SCHEMBL190569672-aminopentanoic acid ethyl esterDTXSID20930254Norvaline, ethyl ester, (.+/-.)-PD196057EN300-863844
Database identifiers
- CAS
13893-43-1- PubChem CID
- 551577
- DTXSID
DTXSID20930254- UNII
- 4XHK9HS7TK
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 175.413 · 175.413±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.08 · 8.080±0.35(predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
6 records
Compound notes
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