Basic information
- Name:
L-Proline, L-alanyl-
- Superlist Name:
- L-Alanyl-L-proline
- CAS No.:
13485-59-1
- Molecular Structure:
- Formula:
- C8H14N2O3
- Molecular Weight:
- 186.21
- Synonyms:
- Alanylproline;L-a-Alanyl-L-proline;N-Alanylproline;NSC 97932;H-Ala-Pro-OH;L-Proline,1-L-alanyl-;Proline, 1-L-alanyl- (7CI);Proline, 1-L-alanyl-, L- (8CI);
- EINECS:
- 236-795-8
- Density:
- 1.294 g/cm3
- Melting Point:
- 170-178 °C
- Boiling Point:
- 403.8 °C at 760 mmHg
- Flash Point:
- 198 °C
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Specification
The L-Proline, L-alanyl- is an organic compound with the formula C8H14N2O3. The IUPAC name of this chemical is 1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid. With the CAS registry number 13485-59-1, it is also named as (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid. The product's categories are Biochemistry; Oligopeptides; Peptide Synthesis.
Physical properties about L-Proline, L-alanyl- are: (1)ACD/LogP: -0.99; (2)ACD/LogD (pH 5.5): -3.49; (3)ACD/LogD (pH 7.4): -3.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.85 Å2; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 45.45 cm3; (14)Molar Volume: 143.8 cm3; (15)Polarizability: 18.01×10-24cm3; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 198 °C; (19)Enthalpy of Vaporization: 71.89 kJ/mol; (20)Boiling Point: 403.8 °C at 760 mmHg; (21)Vapour Pressure: 1.2E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1N(C(=O)[C@@H](N)C)CCC1
(2)InChI: InChI=1/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
(3)InChIKey: WPWUFUBLGADILS-WDSKDSINBD
(4)Std. InChI: InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
(5)Std. InChIKey: WPWUFUBLGADILS-WDSKDSINSA-N