Proline (data page)

The complete data for Proline

General information

Chemical formula: C₅H₉N O₂
Molar mass: 115.13 g·mol⁻¹
Systematic name:
(S)-Pyrrolidine-2-carboxylic acid
Abbreviations: P, Pro
Synonyms:
?

Database data

SMILES: C1CCNC1C(=O)O
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/f/h7H

ATC: N/A

CAS: 147-85-3

DrugBank: N/A

EINECS: 205-702-2 ^a

PubChem: 614 (L) ^a, 8988 (D)^a

Physical properties

Structure

Crystal data

Spectral data

UV-Vis

NMR

MS
- Masses of main fragments:
GMD MS Spectrum

Phase behavior

Solid properties

T_m: 221 °C

Liquid properties

Gas properties

Hazard properties

MSDS N/A

Main hazards:

- N/A

NFPA 704

Flash point

- N/A

R/S statement

R: N/A
S: N/A

RTECS number:
N/A

Chemical properties

XLogP: -0.04

pI: 6.30

pK_a: 1.95, 10.47

Tautomers:

Hydrogen bond: donor - 2; acceptor - 3

Pharmacological properties

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

^a 205-702-2 EINECS for Proline
^a CID 6148988 from PubChem
^a CID 6137 from PubChem

The encoded amino acid

General topics

By properties

Aliphatic	Branched-chain amino acids (Valine Isoleucine Leucine) Methionine Alanine Proline Glycine

Aromatic	Phenylalanine Tyrosine Tryptophan Histidine

Polar, uncharged	Asparagine Glutamine Serine Threonine

Positive charge (pK_a)	Lysine (≈10.8) Arginine (≈12.5) Histidine (≈6.1)

Negative charge (pK_a)	Aspartic acid (≈3.9) Glutamic acid (≈4.1) Cysteine (≈8.3) Tyrosine (≈10.1)

Other classifications

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